2-(3-amino-1,2,4-triazol-1-yl)-N-(1H-pyrazol-5-ylmethyl)acetamide

C8H11N7O — CID 61284266

IUPAC2-(3-amino-1,2,4-triazol-1-yl)-N-(1H-pyrazol-5-ylmethyl)acetamide
SMILESNc1ncn(CC(=O)NCc2ccn[nH]2)n1
InChIInChI=1S/C8H11N7O/c9-8-11-5-15(14-8)4-7(16)10-3-6-1-2-12-13-6/h1-2,5H,3-4H2,(H2,9,14)(H,10,16)(H,12,13)
InChIKeyXVXAFBQMAWOFKQ-UHFFFAOYSA-N
MW221.22 g/mol
LogP-1.10
Rot. Bonds4

About 2-(3-amino-1,2,4-triazol-1-yl)-N-(1H-pyrazol-5-ylmethyl)acetamide

2-(3-amino-1,2,4-triazol-1-yl)-N-(1H-pyrazol-5-ylmethyl)acetamide (PubChem CID 61284266) has the molecular formula C8H11N7O and a molecular weight of 221.22 g/mol. Its IUPAC name is 2-(3-amino-1,2,4-triazol-1-yl)-N-(1H-pyrazol-5-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)-N-(1H-pyrazol-5-ylmethyl)acetamide
PubChem CID61284266
Molecular FormulaC8H11N7O
Molecular Weight221.22 g/mol
Exact Mass221.10
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)-N-(1H-pyrazol-5-ylmethyl)acetamide
SMILESNc1ncn(CC(=O)NCc2ccn[nH]2)n1
InChIInChI=1S/C8H11N7O/c9-8-11-5-15(14-8)4-7(16)10-3-6-1-2-12-13-6/h1-2,5H,3-4H2,(H2,9,14)(H,10,16)(H,12,13)
InChIKeyXVXAFBQMAWOFKQ-UHFFFAOYSA-N
XLogP-1.10
TPSA114.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 5-1.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-amino-1,2,4-triazol-1-yl)-N-(1H-pyrazol-5-yl)acetamide
CID 61393349
3-oxo-3-(1H-pyrazol-5-ylmethylamino)propanoic acid
CID 62232296
2-piperazin-1-yl-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 61283155
2-morpholin-4-yl-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 141430312
2-(3-amino-1,2,4-triazol-1-yl)-N-[(3-ethyl-2-pyridinyl)methyl]acetamide
CID 82741688
2-(3-amino-1,2,4-triazol-1-yl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
CID 64518741
4-amino-N-(1H-pyrazol-5-ylmethyl)butanamide
CID 61285698
5-chloro-N-(1H-pyrazol-5-ylmethyl)pentanamide
CID 61285695
3-(4-aminophenyl)-N-(1H-pyrazol-5-ylmethyl)propanamide
CID 61284267
2-(3-amino-1,2,4-triazol-1-yl)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
CID 62989300
2-cyano-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 131084161
2-cyclobutyl-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 103706823

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-(1H-pyrazol-5-ylmethyl)acetamide?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-(1H-pyrazol-5-ylmethyl)acetamide (CID 61284266) is 2-(3-amino-1,2,4-triazol-1-yl)-N-(1H-pyrazol-5-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)-N-(1H-pyrazol-5-ylmethyl)acetamide?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)-N-(1H-pyrazol-5-ylmethyl)acetamide is Nc1ncn(CC(=O)NCc2ccn[nH]2)n1.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)-N-(1H-pyrazol-5-ylmethyl)acetamide?
The InChIKey is XVXAFBQMAWOFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N7O/c9-8-11-5-15(14-8)4-7(16)10-3-6-1-2-12-13-6/h1-2,5H,3-4H2,(H2,9,14)(H,10,16)(H,12,13).
What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)-N-(1H-pyrazol-5-ylmethyl)acetamide?
2-(3-amino-1,2,4-triazol-1-yl)-N-(1H-pyrazol-5-ylmethyl)acetamide has a molecular weight of 221.22 g/mol, XLogP of -1.10, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1,2,4-triazol-1-yl)-N-(1H-pyrazol-5-ylmethyl)acetamide is sourced from PubChem (CID 61284266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).