tert-butyl N-[[(1S,2S)-2-[[(8S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]cyclopentyl]methyl]carbamate

C18H31N5O2 — CID 129425218

IUPACtert-butyl N-[[(1S,2S)-2-[[(8S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]cyclopentyl]methyl]carbamate
SMILESCc1nc2n(n1)CCC[C@@H]2N[C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C
InChIInChI=1S/C18H31N5O2/c1-12-20-16-15(9-6-10-23(16)22-12)21-14-8-5-7-13(14)11-19-17(24)25-18(2,3)4/h13-15,21H,5-11H2,1-4H3,(H,19,24)/t13-,14-,15-/m0/s1
InChIKeyLIMXGPNKFZCNHR-KKUMJFAQSA-N
MW349.48 g/mol
LogP2.70
Rot. Bonds4

About tert-butyl N-[[(1S,2S)-2-[[(8S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]cyclopentyl]methyl]carbamate

tert-butyl N-[[(1S,2S)-2-[[(8S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]cyclopentyl]methyl]carbamate (PubChem CID 129425218) has the molecular formula C18H31N5O2 and a molecular weight of 349.48 g/mol. Its IUPAC name is tert-butyl N-[[(1S,2S)-2-[[(8S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]cyclopentyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[(1S,2S)-2-[[(8S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]cyclopentyl]methyl]carbamate
PubChem CID129425218
Molecular FormulaC18H31N5O2
Molecular Weight349.48 g/mol
Exact Mass349.25
IUPAC Nametert-butyl N-[[(1S,2S)-2-[[(8S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]cyclopentyl]methyl]carbamate
SMILESCc1nc2n(n1)CCC[C@@H]2N[C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C
InChIInChI=1S/C18H31N5O2/c1-12-20-16-15(9-6-10-23(16)22-12)21-14-8-5-7-13(14)11-19-17(24)25-18(2,3)4/h13-15,21H,5-11H2,1-4H3,(H,19,24)/t13-,14-,15-/m0/s1
InChIKeyLIMXGPNKFZCNHR-KKUMJFAQSA-N
XLogP2.70
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[[(1S,2S)-2-[[(8S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]cyclopentyl]methyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[[2-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)amino]cyclopentyl]methyl]carbamate
CID 86784071
tert-butyl N-[[2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]cyclohexyl]methyl]carbamate
CID 106253113
tert-butyl N-[[2-[(1-methylpiperidin-3-yl)amino]cyclohexyl]methyl]carbamate
CID 103695447
tert-butyl N-[[2-(1-azabicyclo[2.2.2]octan-3-ylamino)cyclopentyl]methyl]carbamate
CID 103695583
tert-butyl N-[[2-[(2-hydroxycyclohexyl)amino]cyclopentyl]methyl]carbamate
CID 103695769
tert-butyl N-[[2-[(1-methylpiperidin-4-yl)methylamino]cyclopentyl]methyl]carbamate
CID 103695749
tert-butyl N-[[2-[(3-methylcyclobutyl)amino]cyclopentyl]methyl]carbamate
CID 115972861
tert-butyl N-[[(1S,2R)-2-[(4-hydroxycyclohexyl)amino]cyclopentyl]methyl]carbamate
CID 99782010
tert-butyl N-[[2-[2-(carbamoylamino)ethylamino]cyclopentyl]methyl]carbamate
CID 83112671
tert-butyl N-[[2-[2-(tert-butylamino)ethylamino]cyclopentyl]methyl]carbamate
CID 107446348
tert-butyl N-[[2-(cycloheptylmethylamino)cyclopentyl]methyl]carbamate
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tert-butyl N-[[2-[(1-methylpyrrolidin-2-yl)methylamino]cyclopentyl]methyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(1S,2S)-2-[[(8S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]cyclopentyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[(1S,2S)-2-[[(8S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]cyclopentyl]methyl]carbamate (CID 129425218) is tert-butyl N-[[(1S,2S)-2-[[(8S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]cyclopentyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[(1S,2S)-2-[[(8S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]cyclopentyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[(1S,2S)-2-[[(8S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]cyclopentyl]methyl]carbamate is Cc1nc2n(n1)CCC[C@@H]2N[C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[(1S,2S)-2-[[(8S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]cyclopentyl]methyl]carbamate?
The InChIKey is LIMXGPNKFZCNHR-KKUMJFAQSA-N. The full InChI is InChI=1S/C18H31N5O2/c1-12-20-16-15(9-6-10-23(16)22-12)21-14-8-5-7-13(14)11-19-17(24)25-18(2,3)4/h13-15,21H,5-11H2,1-4H3,(H,19,24)/t13-,14-,15-/m0/s1.
What are the key properties of tert-butyl N-[[(1S,2S)-2-[[(8S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]cyclopentyl]methyl]carbamate?
tert-butyl N-[[(1S,2S)-2-[[(8S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]cyclopentyl]methyl]carbamate has a molecular weight of 349.48 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(1S,2S)-2-[[(8S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]cyclopentyl]methyl]carbamate is sourced from PubChem (CID 129425218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).