N-[[(2S)-oxan-2-yl]methyl]-1-[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine

C16H28N4O — CID 95329750

IUPACN-[[(2S)-oxan-2-yl]methyl]-1-[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
SMILESCC(C)c1nnc2n1C[C@H](CNC[C@@H]1CCCCO1)CC2
InChIInChI=1S/C16H28N4O/c1-12(2)16-19-18-15-7-6-13(11-20(15)16)9-17-10-14-5-3-4-8-21-14/h12-14,17H,3-11H2,1-2H3/t13-,14-/m0/s1
InChIKeyOQJOJSPMDVBGQD-KBPBESRZSA-N
MW292.43 g/mol
LogP2.12
Rot. Bonds5

About N-[[(2S)-oxan-2-yl]methyl]-1-[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine

N-[[(2S)-oxan-2-yl]methyl]-1-[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine (PubChem CID 95329750) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is N-[[(2S)-oxan-2-yl]methyl]-1-[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine.

Molecular Properties

Compound NameN-[[(2S)-oxan-2-yl]methyl]-1-[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
PubChem CID95329750
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC NameN-[[(2S)-oxan-2-yl]methyl]-1-[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
SMILESCC(C)c1nnc2n1C[C@H](CNC[C@@H]1CCCCO1)CC2
InChIInChI=1S/C16H28N4O/c1-12(2)16-19-18-15-7-6-13(11-20(15)16)9-17-10-14-5-3-4-8-21-14/h12-14,17H,3-11H2,1-2H3/t13-,14-/m0/s1
InChIKeyOQJOJSPMDVBGQD-KBPBESRZSA-N
XLogP2.12
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(2S)-oxan-2-yl]methyl]-1-[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine with MolForge

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Related Compounds

1-[(2R)-oxan-2-yl]-N-[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanesulfonamide
CID 129398295
1-[3-[[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methylamino]propyl]pyrrolidin-2-one
CID 95750292
N-[(2-methyl-3-pyridinyl)methyl]-1-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
CID 95305026
2-[(S)-phenylsulfinyl]-N-[[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]ethanamine
CID 95329794
2-[(R)-phenylsulfinyl]-N-[[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]ethanamine
CID 95329792
N-[(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 167962937
(2S)-2-[[(2S)-oxan-2-yl]methoxy]-1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one
CID 95323324
N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1-[(2R)-oxan-2-yl]methanamine
CID 129432103
N-[[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]quinoxalin-2-amine
CID 95328023
1-cyclopropyl-N-(oxolan-2-ylmethyl)methanamine
CID 3607647
N-(oxan-2-ylmethyl)-1-(oxolan-3-yl)methanamine
CID 61038711
1-(2-chlorocyclohexyl)-N-(oxan-2-ylmethyl)methanamine
CID 65024568

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-oxan-2-yl]methyl]-1-[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine?
The IUPAC name of N-[[(2S)-oxan-2-yl]methyl]-1-[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine (CID 95329750) is N-[[(2S)-oxan-2-yl]methyl]-1-[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine.
What is the SMILES notation for N-[[(2S)-oxan-2-yl]methyl]-1-[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine?
The canonical SMILES for N-[[(2S)-oxan-2-yl]methyl]-1-[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine is CC(C)c1nnc2n1C[C@H](CNC[C@@H]1CCCCO1)CC2.
What is the InChIKey of N-[[(2S)-oxan-2-yl]methyl]-1-[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine?
The InChIKey is OQJOJSPMDVBGQD-KBPBESRZSA-N. The full InChI is InChI=1S/C16H28N4O/c1-12(2)16-19-18-15-7-6-13(11-20(15)16)9-17-10-14-5-3-4-8-21-14/h12-14,17H,3-11H2,1-2H3/t13-,14-/m0/s1.
What are the key properties of N-[[(2S)-oxan-2-yl]methyl]-1-[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine?
N-[[(2S)-oxan-2-yl]methyl]-1-[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine has a molecular weight of 292.43 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-oxan-2-yl]methyl]-1-[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine is sourced from PubChem (CID 95329750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).