N-ethyl-4-(2H-triazole-4-carbonyl)piperazine-1-carboxamide

C10H16N6O2 — CID 78953456

IUPACN-ethyl-4-(2H-triazole-4-carbonyl)piperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(C(=O)c2cn[nH]n2)CC1
InChIInChI=1S/C10H16N6O2/c1-2-11-10(18)16-5-3-15(4-6-16)9(17)8-7-12-14-13-8/h7H,2-6H2,1H3,(H,11,18)(H,12,13,14)
InChIKeyANHICDSBUVJFKY-UHFFFAOYSA-N
MW252.28 g/mol
LogP-0.71
Rot. Bonds2

About N-ethyl-4-(2H-triazole-4-carbonyl)piperazine-1-carboxamide

N-ethyl-4-(2H-triazole-4-carbonyl)piperazine-1-carboxamide (PubChem CID 78953456) has the molecular formula C10H16N6O2 and a molecular weight of 252.28 g/mol. Its IUPAC name is N-ethyl-4-(2H-triazole-4-carbonyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-(2H-triazole-4-carbonyl)piperazine-1-carboxamide
PubChem CID78953456
Molecular FormulaC10H16N6O2
Molecular Weight252.28 g/mol
Exact Mass252.13
IUPAC NameN-ethyl-4-(2H-triazole-4-carbonyl)piperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(C(=O)c2cn[nH]n2)CC1
InChIInChI=1S/C10H16N6O2/c1-2-11-10(18)16-5-3-15(4-6-16)9(17)8-7-12-14-13-8/h7H,2-6H2,1H3,(H,11,18)(H,12,13,14)
InChIKeyANHICDSBUVJFKY-UHFFFAOYSA-N
XLogP-0.71
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2H-triazole-4-carbonyl)piperazine-1-carboxamide?
The IUPAC name of N-ethyl-4-(2H-triazole-4-carbonyl)piperazine-1-carboxamide (CID 78953456) is N-ethyl-4-(2H-triazole-4-carbonyl)piperazine-1-carboxamide.
What is the SMILES notation for N-ethyl-4-(2H-triazole-4-carbonyl)piperazine-1-carboxamide?
The canonical SMILES for N-ethyl-4-(2H-triazole-4-carbonyl)piperazine-1-carboxamide is CCNC(=O)N1CCN(C(=O)c2cn[nH]n2)CC1.
What is the InChIKey of N-ethyl-4-(2H-triazole-4-carbonyl)piperazine-1-carboxamide?
The InChIKey is ANHICDSBUVJFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O2/c1-2-11-10(18)16-5-3-15(4-6-16)9(17)8-7-12-14-13-8/h7H,2-6H2,1H3,(H,11,18)(H,12,13,14).
What are the key properties of N-ethyl-4-(2H-triazole-4-carbonyl)piperazine-1-carboxamide?
N-ethyl-4-(2H-triazole-4-carbonyl)piperazine-1-carboxamide has a molecular weight of 252.28 g/mol, XLogP of -0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2H-triazole-4-carbonyl)piperazine-1-carboxamide is sourced from PubChem (CID 78953456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).