[(2R)-2,4-dimethylpiperazin-1-yl]-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone

C14H18N6O — CID 97094220

IUPAC[(2R)-2,4-dimethylpiperazin-1-yl]-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone
SMILESC[C@@H]1CN(C)CCN1C(=O)c1ccnc(-n2cncn2)c1
InChIInChI=1S/C14H18N6O/c1-11-8-18(2)5-6-19(11)14(21)12-3-4-16-13(7-12)20-10-15-9-17-20/h3-4,7,9-11H,5-6,8H2,1-2H3/t11-/m1/s1
InChIKeyTZHBXRXWEJKBKZ-LLVKDONJSA-N
MW286.34 g/mol
LogP0.44
Rot. Bonds2

About [(2R)-2,4-dimethylpiperazin-1-yl]-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone

[(2R)-2,4-dimethylpiperazin-1-yl]-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone (PubChem CID 97094220) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is [(2R)-2,4-dimethylpiperazin-1-yl]-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone.

Molecular Properties

Compound Name[(2R)-2,4-dimethylpiperazin-1-yl]-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone
PubChem CID97094220
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name[(2R)-2,4-dimethylpiperazin-1-yl]-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone
SMILESC[C@@H]1CN(C)CCN1C(=O)c1ccnc(-n2cncn2)c1
InChIInChI=1S/C14H18N6O/c1-11-8-18(2)5-6-19(11)14(21)12-3-4-16-13(7-12)20-10-15-9-17-20/h3-4,7,9-11H,5-6,8H2,1-2H3/t11-/m1/s1
InChIKeyTZHBXRXWEJKBKZ-LLVKDONJSA-N
XLogP0.44
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2R)-2,4-dimethylpiperazin-1-yl]-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone with MolForge

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Launch Full Analysis

Related Compounds

(2-pyridin-4-ylpyrrolidin-1-yl)-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone
CID 51091752
(2,4-dimethylpiperazin-1-yl)-[2-(ethylamino)-4-pyridinyl]methanone
CID 103738174
(2-propan-2-ylthiomorpholin-4-yl)-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone
CID 71993613
N-tert-butyl-4-[2-(1,2,4-triazol-1-yl)pyridine-4-carbonyl]piperazine-1-carboxamide
CID 166221581
[(3R)-3-ethoxypiperidin-1-yl]-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone
CID 95582872
[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone
CID 94571761
(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone
CID 71987124
[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone
CID 51091736
[2-(4-methoxyphenyl)azepan-1-yl]-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone
CID 51120898
(3,4-dihydroxyphenyl)-(2,4-dimethylpiperazin-1-yl)methanone
CID 103957022
[2-(2-methoxyphenyl)piperazin-1-yl]-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone
CID 120733399
(2,4-dimethylpiperazin-1-yl)-(1-methylpyrazol-4-yl)methanone
CID 71877168

Frequently Asked Questions

What is the IUPAC name of [(2R)-2,4-dimethylpiperazin-1-yl]-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone?
The IUPAC name of [(2R)-2,4-dimethylpiperazin-1-yl]-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone (CID 97094220) is [(2R)-2,4-dimethylpiperazin-1-yl]-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone.
What is the SMILES notation for [(2R)-2,4-dimethylpiperazin-1-yl]-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone?
The canonical SMILES for [(2R)-2,4-dimethylpiperazin-1-yl]-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone is C[C@@H]1CN(C)CCN1C(=O)c1ccnc(-n2cncn2)c1.
What is the InChIKey of [(2R)-2,4-dimethylpiperazin-1-yl]-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone?
The InChIKey is TZHBXRXWEJKBKZ-LLVKDONJSA-N. The full InChI is InChI=1S/C14H18N6O/c1-11-8-18(2)5-6-19(11)14(21)12-3-4-16-13(7-12)20-10-15-9-17-20/h3-4,7,9-11H,5-6,8H2,1-2H3/t11-/m1/s1.
What are the key properties of [(2R)-2,4-dimethylpiperazin-1-yl]-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone?
[(2R)-2,4-dimethylpiperazin-1-yl]-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone has a molecular weight of 286.34 g/mol, XLogP of 0.44, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2,4-dimethylpiperazin-1-yl]-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone is sourced from PubChem (CID 97094220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).