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

C8H11N7O — CID 106281052

IUPAC3-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide
SMILESCC(NC(=O)c1cc(N)n[nH]1)c1ncn[nH]1
InChIInChI=1S/C8H11N7O/c1-4(7-10-3-11-15-7)12-8(16)5-2-6(9)14-13-5/h2-4H,1H3,(H,12,16)(H3,9,13,14)(H,10,11,15)
InChIKeyWGSRECYYYWUOFQ-UHFFFAOYSA-N
MW221.22 g/mol
LogP-0.40
Rot. Bonds3

About 3-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide

3-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide (PubChem CID 106281052) has the molecular formula C8H11N7O and a molecular weight of 221.22 g/mol. Its IUPAC name is 3-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide
PubChem CID106281052
Molecular FormulaC8H11N7O
Molecular Weight221.22 g/mol
Exact Mass221.10
IUPAC Name3-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide
SMILESCC(NC(=O)c1cc(N)n[nH]1)c1ncn[nH]1
InChIInChI=1S/C8H11N7O/c1-4(7-10-3-11-15-7)12-8(16)5-2-6(9)14-13-5/h2-4H,1H3,(H,12,16)(H3,9,13,14)(H,10,11,15)
InChIKeyWGSRECYYYWUOFQ-UHFFFAOYSA-N
XLogP-0.40
TPSA125.37 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 5-0.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 103722970
3-amino-N-butan-2-yl-1H-pyrazole-5-carboxamide
CID 64524201
4-amino-1-propan-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrole-2-carboxamide
CID 106281034
2-amino-5-bromo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide
CID 114194097
3-amino-N-(3-methylpentan-2-yl)-1H-pyrazole-5-carboxamide
CID 64524870
3-amino-N-(2-methylpentan-3-yl)-1H-pyrazole-5-carboxamide
CID 64524872
2-amino-5-hydroxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 114167823
3-amino-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazole-5-carboxamide
CID 64525878
3-amino-N-hexan-3-yl-1H-pyrazole-5-carboxamide
CID 64525274
2-amino-4-bromo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 104878265
3-amino-N-[1-(methylamino)-1-oxopropan-2-yl]-1H-pyrazole-5-carboxamide
CID 64524871
5-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]thiophene-2-carboxylic acid
CID 106283538

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide (CID 106281052) is 3-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide is CC(NC(=O)c1cc(N)n[nH]1)c1ncn[nH]1.
What is the InChIKey of 3-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is WGSRECYYYWUOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N7O/c1-4(7-10-3-11-15-7)12-8(16)5-2-6(9)14-13-5/h2-4H,1H3,(H,12,16)(H3,9,13,14)(H,10,11,15).
What are the key properties of 3-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide?
3-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 221.22 g/mol, XLogP of -0.40, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 106281052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).