3-amino-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazole-5-carboxamide

C7H9N7O — CID 64525878

IUPAC3-amino-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazole-5-carboxamide
SMILESNc1cc(C(=O)NCc2ncn[nH]2)[nH]n1
InChIInChI=1S/C7H9N7O/c8-5-1-4(12-13-5)7(15)9-2-6-10-3-11-14-6/h1,3H,2H2,(H,9,15)(H3,8,12,13)(H,10,11,14)
InChIKeyDRAKXRHYEIHXLY-UHFFFAOYSA-N
MW207.20 g/mol
LogP-0.96
Rot. Bonds3

About 3-amino-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazole-5-carboxamide

3-amino-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazole-5-carboxamide (PubChem CID 64525878) has the molecular formula C7H9N7O and a molecular weight of 207.20 g/mol. Its IUPAC name is 3-amino-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazole-5-carboxamide
PubChem CID64525878
Molecular FormulaC7H9N7O
Molecular Weight207.20 g/mol
Exact Mass207.09
IUPAC Name3-amino-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazole-5-carboxamide
SMILESNc1cc(C(=O)NCc2ncn[nH]2)[nH]n1
InChIInChI=1S/C7H9N7O/c8-5-1-4(12-13-5)7(15)9-2-6-10-3-11-14-6/h1,3H,2H2,(H,9,15)(H3,8,12,13)(H,10,11,14)
InChIKeyDRAKXRHYEIHXLY-UHFFFAOYSA-N
XLogP-0.96
TPSA125.37 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 5-0.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1,3-dihydroimidazole-4-carboxamide
CID 60983322
3-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 106281052
5-amino-2,4-difluoro-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 61117794
3,5-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 54883677
2-amino-4-bromo-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 79719718
2-amino-4,5-dimethoxy-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 61118251
4-carbamothioyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64530382
3-amino-N-[(4-chlorophenyl)methyl]-1H-pyrazole-5-carboxamide
CID 64523629
2,4,6-trimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 54883827
2,6-dichloro-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide
CID 61041672
3-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
CID 64524682
5-hydrazinyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide
CID 104642847

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazole-5-carboxamide (CID 64525878) is 3-amino-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazole-5-carboxamide is Nc1cc(C(=O)NCc2ncn[nH]2)[nH]n1.
What is the InChIKey of 3-amino-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is DRAKXRHYEIHXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N7O/c8-5-1-4(12-13-5)7(15)9-2-6-10-3-11-14-6/h1,3H,2H2,(H,9,15)(H3,8,12,13)(H,10,11,14).
What are the key properties of 3-amino-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazole-5-carboxamide?
3-amino-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 207.20 g/mol, XLogP of -0.96, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 64525878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).