N-(1,5-dimethyl-1,2,4-triazol-3-yl)-4-propan-2-ylpiperazine-1-carboxamide

C12H22N6O — CID 46988661

IUPACN-(1,5-dimethyl-1,2,4-triazol-3-yl)-4-propan-2-ylpiperazine-1-carboxamide
SMILESCc1nc(NC(=O)N2CCN(C(C)C)CC2)nn1C
InChIInChI=1S/C12H22N6O/c1-9(2)17-5-7-18(8-6-17)12(19)14-11-13-10(3)16(4)15-11/h9H,5-8H2,1-4H3,(H,14,15,19)
InChIKeyQYBMWQCDKUNGSJ-UHFFFAOYSA-N
MW266.35 g/mol
LogP0.68
Rot. Bonds2

About N-(1,5-dimethyl-1,2,4-triazol-3-yl)-4-propan-2-ylpiperazine-1-carboxamide

N-(1,5-dimethyl-1,2,4-triazol-3-yl)-4-propan-2-ylpiperazine-1-carboxamide (PubChem CID 46988661) has the molecular formula C12H22N6O and a molecular weight of 266.35 g/mol. Its IUPAC name is N-(1,5-dimethyl-1,2,4-triazol-3-yl)-4-propan-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-1,2,4-triazol-3-yl)-4-propan-2-ylpiperazine-1-carboxamide
PubChem CID46988661
Molecular FormulaC12H22N6O
Molecular Weight266.35 g/mol
Exact Mass266.19
IUPAC NameN-(1,5-dimethyl-1,2,4-triazol-3-yl)-4-propan-2-ylpiperazine-1-carboxamide
SMILESCc1nc(NC(=O)N2CCN(C(C)C)CC2)nn1C
InChIInChI=1S/C12H22N6O/c1-9(2)17-5-7-18(8-6-17)12(19)14-11-13-10(3)16(4)15-11/h9H,5-8H2,1-4H3,(H,14,15,19)
InChIKeyQYBMWQCDKUNGSJ-UHFFFAOYSA-N
XLogP0.68
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-1,2,4-triazol-3-yl)-4-propan-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-(1,5-dimethyl-1,2,4-triazol-3-yl)-4-propan-2-ylpiperazine-1-carboxamide (CID 46988661) is N-(1,5-dimethyl-1,2,4-triazol-3-yl)-4-propan-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-(1,5-dimethyl-1,2,4-triazol-3-yl)-4-propan-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-(1,5-dimethyl-1,2,4-triazol-3-yl)-4-propan-2-ylpiperazine-1-carboxamide is Cc1nc(NC(=O)N2CCN(C(C)C)CC2)nn1C.
What is the InChIKey of N-(1,5-dimethyl-1,2,4-triazol-3-yl)-4-propan-2-ylpiperazine-1-carboxamide?
The InChIKey is QYBMWQCDKUNGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O/c1-9(2)17-5-7-18(8-6-17)12(19)14-11-13-10(3)16(4)15-11/h9H,5-8H2,1-4H3,(H,14,15,19).
What are the key properties of N-(1,5-dimethyl-1,2,4-triazol-3-yl)-4-propan-2-ylpiperazine-1-carboxamide?
N-(1,5-dimethyl-1,2,4-triazol-3-yl)-4-propan-2-ylpiperazine-1-carboxamide has a molecular weight of 266.35 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-1,2,4-triazol-3-yl)-4-propan-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 46988661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).