N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(2-methylpropyl)piperazine-1-carboxamide

C14H26N6O — CID 71892920

IUPACN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(2-methylpropyl)piperazine-1-carboxamide
SMILESCCn1cnnc1CNC(=O)N1CCN(CC(C)C)CC1
InChIInChI=1S/C14H26N6O/c1-4-19-11-16-17-13(19)9-15-14(21)20-7-5-18(6-8-20)10-12(2)3/h11-12H,4-10H2,1-3H3,(H,15,21)
InChIKeyWLIRXNURDYBMQJ-UHFFFAOYSA-N
MW294.40 g/mol
LogP0.78
Rot. Bonds5

About N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(2-methylpropyl)piperazine-1-carboxamide

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(2-methylpropyl)piperazine-1-carboxamide (PubChem CID 71892920) has the molecular formula C14H26N6O and a molecular weight of 294.40 g/mol. Its IUPAC name is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(2-methylpropyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(2-methylpropyl)piperazine-1-carboxamide
PubChem CID71892920
Molecular FormulaC14H26N6O
Molecular Weight294.40 g/mol
Exact Mass294.22
IUPAC NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(2-methylpropyl)piperazine-1-carboxamide
SMILESCCn1cnnc1CNC(=O)N1CCN(CC(C)C)CC1
InChIInChI=1S/C14H26N6O/c1-4-19-11-16-17-13(19)9-15-14(21)20-7-5-18(6-8-20)10-12(2)3/h11-12H,4-10H2,1-3H3,(H,15,21)
InChIKeyWLIRXNURDYBMQJ-UHFFFAOYSA-N
XLogP0.78
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(2-methylpropyl)piperazine-1-carboxamide?
The IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(2-methylpropyl)piperazine-1-carboxamide (CID 71892920) is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(2-methylpropyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(2-methylpropyl)piperazine-1-carboxamide?
The canonical SMILES for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(2-methylpropyl)piperazine-1-carboxamide is CCn1cnnc1CNC(=O)N1CCN(CC(C)C)CC1.
What is the InChIKey of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(2-methylpropyl)piperazine-1-carboxamide?
The InChIKey is WLIRXNURDYBMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N6O/c1-4-19-11-16-17-13(19)9-15-14(21)20-7-5-18(6-8-20)10-12(2)3/h11-12H,4-10H2,1-3H3,(H,15,21).
What are the key properties of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(2-methylpropyl)piperazine-1-carboxamide?
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(2-methylpropyl)piperazine-1-carboxamide has a molecular weight of 294.40 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(2-methylpropyl)piperazine-1-carboxamide is sourced from PubChem (CID 71892920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).