2-(3-aminopyrazol-1-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide

C9H13N7O — CID 64518365

IUPAC2-(3-aminopyrazol-1-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
SMILESNc1ccn(CC(=O)NCCc2ncn[nH]2)n1
InChIInChI=1S/C9H13N7O/c10-7-2-4-16(15-7)5-9(17)11-3-1-8-12-6-13-14-8/h2,4,6H,1,3,5H2,(H2,10,15)(H,11,17)(H,12,13,14)
InChIKeyVAUVGUXJHPYDDJ-UHFFFAOYSA-N
MW235.25 g/mol
LogP-1.06
Rot. Bonds5

About 2-(3-aminopyrazol-1-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide

2-(3-aminopyrazol-1-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide (PubChem CID 64518365) has the molecular formula C9H13N7O and a molecular weight of 235.25 g/mol. Its IUPAC name is 2-(3-aminopyrazol-1-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-aminopyrazol-1-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
PubChem CID64518365
Molecular FormulaC9H13N7O
Molecular Weight235.25 g/mol
Exact Mass235.12
IUPAC Name2-(3-aminopyrazol-1-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
SMILESNc1ccn(CC(=O)NCCc2ncn[nH]2)n1
InChIInChI=1S/C9H13N7O/c10-7-2-4-16(15-7)5-9(17)11-3-1-8-12-6-13-14-8/h2,4,6H,1,3,5H2,(H2,10,15)(H,11,17)(H,12,13,14)
InChIKeyVAUVGUXJHPYDDJ-UHFFFAOYSA-N
XLogP-1.06
TPSA114.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 5-1.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-aminopyrazol-1-yl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
CID 64519510
2-(3-amino-1,2,4-triazol-1-yl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
CID 64518741
N-(2-acetamidoethyl)-2-(3-aminopyrazol-1-yl)acetamide
CID 62101709
2-amino-N-[2-oxo-2-[2-(1H-1,2,4-triazol-5-yl)ethylamino]ethyl]acetamide
CID 64532139
2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64546219
2-phenyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64545677
2-(3-aminopyrazol-1-yl)-N-pent-3-ynylacetamide
CID 116642593
2-(5-bromo-2-oxo-1-pyridinyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64547769
3-methylsulfonyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 64548213
4-amino-1-ethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-3-carboxamide
CID 65362863
4-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 64517006
(2S)-2-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide
CID 79023094

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrazol-1-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
The IUPAC name of 2-(3-aminopyrazol-1-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide (CID 64518365) is 2-(3-aminopyrazol-1-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide.
What is the SMILES notation for 2-(3-aminopyrazol-1-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
The canonical SMILES for 2-(3-aminopyrazol-1-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide is Nc1ccn(CC(=O)NCCc2ncn[nH]2)n1.
What is the InChIKey of 2-(3-aminopyrazol-1-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
The InChIKey is VAUVGUXJHPYDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N7O/c10-7-2-4-16(15-7)5-9(17)11-3-1-8-12-6-13-14-8/h2,4,6H,1,3,5H2,(H2,10,15)(H,11,17)(H,12,13,14).
What are the key properties of 2-(3-aminopyrazol-1-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
2-(3-aminopyrazol-1-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide has a molecular weight of 235.25 g/mol, XLogP of -1.06, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrazol-1-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide is sourced from PubChem (CID 64518365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).