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

C13H24N6O — CID 71892917

IUPACN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-propan-2-ylpiperazine-1-carboxamide
SMILESCCn1cnnc1CNC(=O)N1CCN(C(C)C)CC1
InChIInChI=1S/C13H24N6O/c1-4-17-10-15-16-12(17)9-14-13(20)19-7-5-18(6-8-19)11(2)3/h10-11H,4-9H2,1-3H3,(H,14,20)
InChIKeyUYVJWOUYPHRJRI-UHFFFAOYSA-N
MW280.38 g/mol
LogP0.53
Rot. Bonds4

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

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-propan-2-ylpiperazine-1-carboxamide (PubChem CID 71892917) has the molecular formula C13H24N6O and a molecular weight of 280.38 g/mol. Its IUPAC name is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-propan-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-propan-2-ylpiperazine-1-carboxamide
PubChem CID71892917
Molecular FormulaC13H24N6O
Molecular Weight280.38 g/mol
Exact Mass280.20
IUPAC NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-propan-2-ylpiperazine-1-carboxamide
SMILESCCn1cnnc1CNC(=O)N1CCN(C(C)C)CC1
InChIInChI=1S/C13H24N6O/c1-4-17-10-15-16-12(17)9-14-13(20)19-7-5-18(6-8-19)11(2)3/h10-11H,4-9H2,1-3H3,(H,14,20)
InChIKeyUYVJWOUYPHRJRI-UHFFFAOYSA-N
XLogP0.53
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 50.53
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-propan-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-propan-2-ylpiperazine-1-carboxamide (CID 71892917) is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-propan-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-propan-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-propan-2-ylpiperazine-1-carboxamide is CCn1cnnc1CNC(=O)N1CCN(C(C)C)CC1.
What is the InChIKey of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-propan-2-ylpiperazine-1-carboxamide?
The InChIKey is UYVJWOUYPHRJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6O/c1-4-17-10-15-16-12(17)9-14-13(20)19-7-5-18(6-8-19)11(2)3/h10-11H,4-9H2,1-3H3,(H,14,20).
What are the key properties of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-propan-2-ylpiperazine-1-carboxamide?
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-propan-2-ylpiperazine-1-carboxamide has a molecular weight of 280.38 g/mol, XLogP of 0.53, 4 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-propan-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 71892917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).