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

C8H11N7O — CID 64517006

IUPAC4-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide
SMILESNc1cn[nH]c1C(=O)NCCc1ncn[nH]1
InChIInChI=1S/C8H11N7O/c9-5-3-12-15-7(5)8(16)10-2-1-6-11-4-13-14-6/h3-4H,1-2,9H2,(H,10,16)(H,12,15)(H,11,13,14)
InChIKeyFLAPUOKZRNZVMO-UHFFFAOYSA-N
MW221.22 g/mol
LogP-0.92
Rot. Bonds4

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

4-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide (PubChem CID 64517006) has the molecular formula C8H11N7O and a molecular weight of 221.22 g/mol. Its IUPAC name is 4-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide
PubChem CID64517006
Molecular FormulaC8H11N7O
Molecular Weight221.22 g/mol
Exact Mass221.10
IUPAC Name4-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide
SMILESNc1cn[nH]c1C(=O)NCCc1ncn[nH]1
InChIInChI=1S/C8H11N7O/c9-5-3-12-15-7(5)8(16)10-2-1-6-11-4-13-14-6/h3-4H,1-2,9H2,(H,10,16)(H,12,15)(H,11,13,14)
InChIKeyFLAPUOKZRNZVMO-UHFFFAOYSA-N
XLogP-0.92
TPSA125.37 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 5-0.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-1-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-5-carboxamide
CID 65360013
3-amino-2,5-difluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 107121133
4-amino-1-ethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-3-carboxamide
CID 65362863
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 64546063
(2S)-2-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide
CID 79023094
5-amino-2-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 64517582
2-amino-6-methoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 81420398
2-amino-N-[2-oxo-2-[2-(1H-1,2,4-triazol-5-yl)ethylamino]ethyl]acetamide
CID 64532139
2-amino-6-ethoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 81420466
2,6-dimethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 103769288
5-fluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide
CID 113256537
4-amino-N-[2-(cyclohexen-1-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 63101773

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide (CID 64517006) is 4-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide is Nc1cn[nH]c1C(=O)NCCc1ncn[nH]1.
What is the InChIKey of 4-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is FLAPUOKZRNZVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N7O/c9-5-3-12-15-7(5)8(16)10-2-1-6-11-4-13-14-6/h3-4H,1-2,9H2,(H,10,16)(H,12,15)(H,11,13,14).
What are the key properties of 4-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide?
4-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 221.22 g/mol, XLogP of -0.92, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 64517006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).