N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-1H-1,2,4-triazole-5-carboxamide

C9H13N5O — CID 114693994

IUPACN-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(NCC1=CCNCC1)c1ncn[nH]1
InChIInChI=1S/C9H13N5O/c15-9(8-12-6-13-14-8)11-5-7-1-3-10-4-2-7/h1,6,10H,2-5H2,(H,11,15)(H,12,13,14)
InChIKeyCFOFXEDVMSBQGP-UHFFFAOYSA-N
MW207.24 g/mol
LogP-0.55
Rot. Bonds3

About N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-1H-1,2,4-triazole-5-carboxamide

N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 114693994) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID114693994
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC NameN-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(NCC1=CCNCC1)c1ncn[nH]1
InChIInChI=1S/C9H13N5O/c15-9(8-12-6-13-14-8)11-5-7-1-3-10-4-2-7/h1,6,10H,2-5H2,(H,11,15)(H,12,13,14)
InChIKeyCFOFXEDVMSBQGP-UHFFFAOYSA-N
XLogP-0.55
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 102922374
2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 114693924
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)thiadiazole-5-carboxamide
CID 114693928
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)propanamide
CID 114693648
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-1H-indazole-6-carboxamide
CID 114693720
2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyridine-3-carboxamide
CID 114693767
N-(2,2-difluoroethyl)-1H-1,2,4-triazole-5-carboxamide
CID 115283347
1H-1,2,4-triazole-5-carbohydrazide
CID 2760675
N-(3,3-dimethylbutyl)-1H-1,2,4-triazole-5-carboxamide
CID 115749109
2-chloro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide
CID 114693546
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)prop-2-enamide
CID 114693829
N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-5-carboxamide
CID 67183318

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-1H-1,2,4-triazole-5-carboxamide (CID 114693994) is N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-1H-1,2,4-triazole-5-carboxamide is O=C(NCC1=CCNCC1)c1ncn[nH]1.
What is the InChIKey of N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is CFOFXEDVMSBQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c15-9(8-12-6-13-14-8)11-5-7-1-3-10-4-2-7/h1,6,10H,2-5H2,(H,11,15)(H,12,13,14).
What are the key properties of N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-1H-1,2,4-triazole-5-carboxamide?
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 207.24 g/mol, XLogP of -0.55, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 114693994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).