4-(2H-triazol-4-yl)piperazine-1-carboxamide

C7H12N6O — CID 174978419

IUPAC4-(2H-triazol-4-yl)piperazine-1-carboxamide
SMILESNC(=O)N1CCN(c2cn[nH]n2)CC1
InChIInChI=1S/C7H12N6O/c8-7(14)13-3-1-12(2-4-13)6-5-9-11-10-6/h5H,1-4H2,(H2,8,14)(H,9,10,11)
InChIKeyZMFHXYHFWLKGNH-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.99
Rot. Bonds1

About 4-(2H-triazol-4-yl)piperazine-1-carboxamide

4-(2H-triazol-4-yl)piperazine-1-carboxamide (PubChem CID 174978419) has the molecular formula C7H12N6O and a molecular weight of 196.21 g/mol. Its IUPAC name is 4-(2H-triazol-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2H-triazol-4-yl)piperazine-1-carboxamide
PubChem CID174978419
Molecular FormulaC7H12N6O
Molecular Weight196.21 g/mol
Exact Mass196.11
IUPAC Name4-(2H-triazol-4-yl)piperazine-1-carboxamide
SMILESNC(=O)N1CCN(c2cn[nH]n2)CC1
InChIInChI=1S/C7H12N6O/c8-7(14)13-3-1-12(2-4-13)6-5-9-11-10-6/h5H,1-4H2,(H2,8,14)(H,9,10,11)
InChIKeyZMFHXYHFWLKGNH-UHFFFAOYSA-N
XLogP-0.99
TPSA91.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2H-triazol-4-yl)piperazine;hydrochloride
CID 174759148
4-[5-(aminomethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 107355690
aziridine;aziridine-1-carboxamide
CID 157196797
4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxamide
CID 129105303
4-(2-ethylphenyl)piperazine-1-carboxamide
CID 70281213
1-(2H-triazol-4-yl)pyrrolidine-2,5-dione
CID 70083719
1-(2H-triazole-4-carbonyl)piperidine-4-carboxamide
CID 110475443
[4-(2-chlorophenyl)piperazin-1-yl]-(2H-triazol-4-yl)methanone
CID 112729784
1-S,2-S-bis(2H-triazol-4-yl) ethanebis(thioate)
CID 54223050
4-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]piperazine-1-carboxamide
CID 123643221
4-[2-methylsulfanyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide
CID 1484549
[4-(2-hydroxyethyl)piperazin-1-yl]-(2H-triazol-4-yl)methanone
CID 110475446

Frequently Asked Questions

What is the IUPAC name of 4-(2H-triazol-4-yl)piperazine-1-carboxamide?
The IUPAC name of 4-(2H-triazol-4-yl)piperazine-1-carboxamide (CID 174978419) is 4-(2H-triazol-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2H-triazol-4-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2H-triazol-4-yl)piperazine-1-carboxamide is NC(=O)N1CCN(c2cn[nH]n2)CC1.
What is the InChIKey of 4-(2H-triazol-4-yl)piperazine-1-carboxamide?
The InChIKey is ZMFHXYHFWLKGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N6O/c8-7(14)13-3-1-12(2-4-13)6-5-9-11-10-6/h5H,1-4H2,(H2,8,14)(H,9,10,11).
What are the key properties of 4-(2H-triazol-4-yl)piperazine-1-carboxamide?
4-(2H-triazol-4-yl)piperazine-1-carboxamide has a molecular weight of 196.21 g/mol, XLogP of -0.99, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2H-triazol-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 174978419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).