4-amino-1-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-5-carboxamide

C9H13N7O — CID 65360013

IUPAC4-amino-1-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-5-carboxamide
SMILESCn1ncc(N)c1C(=O)NCCc1ncn[nH]1
InChIInChI=1S/C9H13N7O/c1-16-8(6(10)4-14-16)9(17)11-3-2-7-12-5-13-15-7/h4-5H,2-3,10H2,1H3,(H,11,17)(H,12,13,15)
InChIKeyQIDDSZGESQTUEH-UHFFFAOYSA-N
MW235.25 g/mol
LogP-0.91
Rot. Bonds4

About 4-amino-1-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-5-carboxamide

4-amino-1-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-5-carboxamide (PubChem CID 65360013) has the molecular formula C9H13N7O and a molecular weight of 235.25 g/mol. Its IUPAC name is 4-amino-1-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-1-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-5-carboxamide
PubChem CID65360013
Molecular FormulaC9H13N7O
Molecular Weight235.25 g/mol
Exact Mass235.12
IUPAC Name4-amino-1-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-5-carboxamide
SMILESCn1ncc(N)c1C(=O)NCCc1ncn[nH]1
InChIInChI=1S/C9H13N7O/c1-16-8(6(10)4-14-16)9(17)11-3-2-7-12-5-13-15-7/h4-5H,2-3,10H2,1H3,(H,11,17)(H,12,13,15)
InChIKeyQIDDSZGESQTUEH-UHFFFAOYSA-N
XLogP-0.91
TPSA114.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-1-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrazole-5-carboxamide
CID 65360012
4-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 64517006
1-(3-aminopropyl)-5-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-4-carboxamide
CID 64517209
4-amino-1-ethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-3-carboxamide
CID 65362863
(2S)-2-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide
CID 79023094
4-chloro-1-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrrole-2-carboxamide
CID 64545994
2-amino-6-methoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 81420398
3-amino-2,5-difluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 107121133
2-amino-N-[2-oxo-2-[2-(1H-1,2,4-triazol-5-yl)ethylamino]ethyl]acetamide
CID 64532139
2,6-dimethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 103769288
4-amino-1-methyl-N-(3-propan-2-yloxypropyl)pyrazole-5-carboxamide
CID 132586606
2-amino-6-ethoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 81420466

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-5-carboxamide?
The IUPAC name of 4-amino-1-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-5-carboxamide (CID 65360013) is 4-amino-1-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-1-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-1-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-5-carboxamide is Cn1ncc(N)c1C(=O)NCCc1ncn[nH]1.
What is the InChIKey of 4-amino-1-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-5-carboxamide?
The InChIKey is QIDDSZGESQTUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N7O/c1-16-8(6(10)4-14-16)9(17)11-3-2-7-12-5-13-15-7/h4-5H,2-3,10H2,1H3,(H,11,17)(H,12,13,15).
What are the key properties of 4-amino-1-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-5-carboxamide?
4-amino-1-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-5-carboxamide has a molecular weight of 235.25 g/mol, XLogP of -0.91, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-5-carboxamide is sourced from PubChem (CID 65360013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).