1-tert-butyl-3-cyclopropyl-N-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyrazole-5-carboxamide

C18H26N6O — CID 95138621

IUPAC1-tert-butyl-3-cyclopropyl-N-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyrazole-5-carboxamide
SMILESCc1nnc2n1C[C@H](NC(=O)c1cc(C3CC3)nn1C(C)(C)C)CC2
InChIInChI=1S/C18H26N6O/c1-11-20-21-16-8-7-13(10-23(11)16)19-17(25)15-9-14(12-5-6-12)22-24(15)18(2,3)4/h9,12-13H,5-8,10H2,1-4H3,(H,19,25)/t13-/m1/s1
InChIKeyFOTDITXPHZNAOO-CYBMUJFWSA-N
MW342.45 g/mol
LogP2.16
Rot. Bonds3

About 1-tert-butyl-3-cyclopropyl-N-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyrazole-5-carboxamide

1-tert-butyl-3-cyclopropyl-N-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyrazole-5-carboxamide (PubChem CID 95138621) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is 1-tert-butyl-3-cyclopropyl-N-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-3-cyclopropyl-N-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyrazole-5-carboxamide
PubChem CID95138621
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name1-tert-butyl-3-cyclopropyl-N-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyrazole-5-carboxamide
SMILESCc1nnc2n1C[C@H](NC(=O)c1cc(C3CC3)nn1C(C)(C)C)CC2
InChIInChI=1S/C18H26N6O/c1-11-20-21-16-8-7-13(10-23(11)16)19-17(25)15-9-14(12-5-6-12)22-24(15)18(2,3)4/h9,12-13H,5-8,10H2,1-4H3,(H,19,25)/t13-/m1/s1
InChIKeyFOTDITXPHZNAOO-CYBMUJFWSA-N
XLogP2.16
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-cyclopropyl-N-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyrazole-5-carboxamide?
The IUPAC name of 1-tert-butyl-3-cyclopropyl-N-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyrazole-5-carboxamide (CID 95138621) is 1-tert-butyl-3-cyclopropyl-N-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyrazole-5-carboxamide.
What is the SMILES notation for 1-tert-butyl-3-cyclopropyl-N-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyrazole-5-carboxamide?
The canonical SMILES for 1-tert-butyl-3-cyclopropyl-N-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyrazole-5-carboxamide is Cc1nnc2n1C[C@H](NC(=O)c1cc(C3CC3)nn1C(C)(C)C)CC2.
What is the InChIKey of 1-tert-butyl-3-cyclopropyl-N-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyrazole-5-carboxamide?
The InChIKey is FOTDITXPHZNAOO-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H26N6O/c1-11-20-21-16-8-7-13(10-23(11)16)19-17(25)15-9-14(12-5-6-12)22-24(15)18(2,3)4/h9,12-13H,5-8,10H2,1-4H3,(H,19,25)/t13-/m1/s1.
What are the key properties of 1-tert-butyl-3-cyclopropyl-N-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyrazole-5-carboxamide?
1-tert-butyl-3-cyclopropyl-N-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyrazole-5-carboxamide has a molecular weight of 342.45 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-cyclopropyl-N-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyrazole-5-carboxamide is sourced from PubChem (CID 95138621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).