N-(1-adamantyl)-3-amino-1H-1,2,4-triazole-5-carboxamide

C13H19N5O — CID 55115521

IUPACN-(1-adamantyl)-3-amino-1H-1,2,4-triazole-5-carboxamide
SMILESNc1n[nH]c(C(=O)NC23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C13H19N5O/c14-12-15-10(17-18-12)11(19)16-13-4-7-1-8(5-13)3-9(2-7)6-13/h7-9H,1-6H2,(H,16,19)(H3,14,15,17,18)
InChIKeyOGUZTQBKDHMTTK-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.09
Rot. Bonds2

About N-(1-adamantyl)-3-amino-1H-1,2,4-triazole-5-carboxamide

N-(1-adamantyl)-3-amino-1H-1,2,4-triazole-5-carboxamide (PubChem CID 55115521) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is N-(1-adamantyl)-3-amino-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-3-amino-1H-1,2,4-triazole-5-carboxamide
PubChem CID55115521
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC NameN-(1-adamantyl)-3-amino-1H-1,2,4-triazole-5-carboxamide
SMILESNc1n[nH]c(C(=O)NC23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C13H19N5O/c14-12-15-10(17-18-12)11(19)16-13-4-7-1-8(5-13)3-9(2-7)6-13/h7-9H,1-6H2,(H,16,19)(H3,14,15,17,18)
InChIKeyOGUZTQBKDHMTTK-UHFFFAOYSA-N
XLogP1.09
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,3-N-bis(1-adamantyl)-5-aminobenzene-1,3-dicarboxamide
CID 57309710
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CID 62153371
3-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)-1H-1,2,4-triazole-5-carboxamide
CID 114119097
3-amino-N-(1-methylazetidin-3-yl)-1H-1,2,4-triazole-5-carboxamide
CID 130623492
3-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-1H-1,2,4-triazole-5-carboxamide
CID 94600004
N-(1-adamantyl)-5-methyl-4,5-dihydro-1H-imidazole-2-carboxamide
CID 91902289
3-amino-N-(2-hydroxycycloheptyl)-1H-1,2,4-triazole-5-carboxamide
CID 113394753
N-(1-adamantyl)-4-iodo-1H-pyrazole-5-carboxamide
CID 19479778
N-(1-adamantyl)-5-aminopyridine-2-carboxamide
CID 81309951
N-(1-adamantyl)-2-(2-aminoethyl)-1,3-thiazole-4-carboxamide
CID 66373028
3-amino-N-(3,3-dichloroprop-2-enyl)-1H-1,2,4-triazole-5-carboxamide
CID 164646299
3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-1H-1,2,4-triazole-5-carboxamide
CID 106026096

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-3-amino-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-(1-adamantyl)-3-amino-1H-1,2,4-triazole-5-carboxamide (CID 55115521) is N-(1-adamantyl)-3-amino-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-3-amino-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-(1-adamantyl)-3-amino-1H-1,2,4-triazole-5-carboxamide is Nc1n[nH]c(C(=O)NC23CC4CC(CC(C4)C2)C3)n1.
What is the InChIKey of N-(1-adamantyl)-3-amino-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is OGUZTQBKDHMTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c14-12-15-10(17-18-12)11(19)16-13-4-7-1-8(5-13)3-9(2-7)6-13/h7-9H,1-6H2,(H,16,19)(H3,14,15,17,18).
What are the key properties of N-(1-adamantyl)-3-amino-1H-1,2,4-triazole-5-carboxamide?
N-(1-adamantyl)-3-amino-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 261.33 g/mol, XLogP of 1.09, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-3-amino-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 55115521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).