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

C10H15N7O — CID 64519510

IUPAC2-(3-aminopyrazol-1-yl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
SMILESNc1ccn(CC(=O)NCCCc2ncn[nH]2)n1
InChIInChI=1S/C10H15N7O/c11-8-3-5-17(16-8)6-10(18)12-4-1-2-9-13-7-14-15-9/h3,5,7H,1-2,4,6H2,(H2,11,16)(H,12,18)(H,13,14,15)
InChIKeyNQORXTOGPFSKFL-UHFFFAOYSA-N
MW249.28 g/mol
LogP-0.67
Rot. Bonds6

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

2-(3-aminopyrazol-1-yl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide (PubChem CID 64519510) has the molecular formula C10H15N7O and a molecular weight of 249.28 g/mol. Its IUPAC name is 2-(3-aminopyrazol-1-yl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(3-aminopyrazol-1-yl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
PubChem CID64519510
Molecular FormulaC10H15N7O
Molecular Weight249.28 g/mol
Exact Mass249.13
IUPAC Name2-(3-aminopyrazol-1-yl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
SMILESNc1ccn(CC(=O)NCCCc2ncn[nH]2)n1
InChIInChI=1S/C10H15N7O/c11-8-3-5-17(16-8)6-10(18)12-4-1-2-9-13-7-14-15-9/h3,5,7H,1-2,4,6H2,(H2,11,16)(H,12,18)(H,13,14,15)
InChIKeyNQORXTOGPFSKFL-UHFFFAOYSA-N
XLogP-0.67
TPSA114.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminopyrazol-1-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64518365
2-(3-amino-1,2,4-triazol-1-yl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
CID 64518741
3-chloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide
CID 64530629
2-(4-methylphenyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
CID 64548489
1-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrrole-2-carboxamide
CID 64519526
4-amino-4-phenyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]butanamide
CID 64530541
2-(4-chlorophenoxy)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
CID 64517612
2-(3-aminopyrazol-1-yl)-N-[2-(3,5-difluorophenyl)ethyl]acetamide
CID 62604621
2-(4-bromophenyl)sulfanyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
CID 64546662
4-hydroxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pentanamide
CID 79192690
2-(3-aminopyrazol-1-yl)-N-pent-3-ynylacetamide
CID 116642593
2-(cyclopropylamino)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
CID 64531149

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrazol-1-yl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide?
The IUPAC name of 2-(3-aminopyrazol-1-yl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide (CID 64519510) is 2-(3-aminopyrazol-1-yl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide.
What is the SMILES notation for 2-(3-aminopyrazol-1-yl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide?
The canonical SMILES for 2-(3-aminopyrazol-1-yl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide is Nc1ccn(CC(=O)NCCCc2ncn[nH]2)n1.
What is the InChIKey of 2-(3-aminopyrazol-1-yl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide?
The InChIKey is NQORXTOGPFSKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N7O/c11-8-3-5-17(16-8)6-10(18)12-4-1-2-9-13-7-14-15-9/h3,5,7H,1-2,4,6H2,(H2,11,16)(H,12,18)(H,13,14,15).
What are the key properties of 2-(3-aminopyrazol-1-yl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide?
2-(3-aminopyrazol-1-yl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide has a molecular weight of 249.28 g/mol, XLogP of -0.67, 6 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-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide is sourced from PubChem (CID 64519510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).