1-propan-2-yl-4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-3,6-dihydro-2H-pyridine

C13H22N4 — CID 166030745

IUPAC1-propan-2-yl-4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-3,6-dihydro-2H-pyridine
SMILESCC(C)c1nc(C2=CCN(C(C)C)CC2)n[nH]1
InChIInChI=1S/C13H22N4/c1-9(2)12-14-13(16-15-12)11-5-7-17(8-6-11)10(3)4/h5,9-10H,6-8H2,1-4H3,(H,14,15,16)
InChIKeySNCYWNNWNNVQEY-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.43
Rot. Bonds3

About 1-propan-2-yl-4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-3,6-dihydro-2H-pyridine

1-propan-2-yl-4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-3,6-dihydro-2H-pyridine (PubChem CID 166030745) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 1-propan-2-yl-4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-propan-2-yl-4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-3,6-dihydro-2H-pyridine
PubChem CID166030745
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name1-propan-2-yl-4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-3,6-dihydro-2H-pyridine
SMILESCC(C)c1nc(C2=CCN(C(C)C)CC2)n[nH]1
InChIInChI=1S/C13H22N4/c1-9(2)12-14-13(16-15-12)11-5-7-17(8-6-11)10(3)4/h5,9-10H,6-8H2,1-4H3,(H,14,15,16)
InChIKeySNCYWNNWNNVQEY-UHFFFAOYSA-N
XLogP2.43
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-propan-2-yl-4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-3,6-dihydro-2H-pyridine with MolForge

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Related Compounds

5-fluoro-1-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-3,6-dihydro-2H-pyridine
CID 126790384
5-fluoro-1-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-3,6-dihydro-2H-pyridine
CID 129348535
5-fluoro-1-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-3,6-dihydro-2H-pyridine
CID 129348536
3-cyclohexa-1,5-dien-1-yl-5-propan-2-yl-1H-1,2,4-triazole
CID 17946487
5-(5-methyl-1H-1,2,4-triazol-3-yl)-2H-pyridin-2-ide;1,2,3,4,5-pentamethylbenzene-6-ide;tungsten(2+)
CID 59252448
5-methyl-3-[(3E,5Z)-2-methylhepta-3,5-dien-3-yl]-1H-1,2,4-triazole
CID 88947372
5-(2-Methyl-propenyl)-3-pyrrolidin-1-yl-1H-[1,2,4]triazole
CID 90017697
5-[(E)-2-methylbut-1-enyl]-3-pyrrolidin-1-yl-1H-1,2,4-triazole
CID 90026098
5-methyl-3-[(3E)-2-methylpenta-1,3-dien-3-yl]-1H-1,2,4-triazole
CID 117885874
(Z)-N,3-dimethyl-N-(3-methylbut-1-en-2-yl)-4-(1H-1,2,4-triazol-5-yl)but-3-en-1-amine
CID 130450433
2-(3-buta-1,3-dien-2-yl-1H-1,2,4-triazol-5-yl)-N,N-dimethylethanamine
CID 139453871
5-(2-methylbut-1-enyl)-3-pyrrolidin-1-yl-1H-1,2,4-triazole
CID 140674928

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-propan-2-yl-4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-3,6-dihydro-2H-pyridine (CID 166030745) is 1-propan-2-yl-4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-propan-2-yl-4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-propan-2-yl-4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-3,6-dihydro-2H-pyridine is CC(C)c1nc(C2=CCN(C(C)C)CC2)n[nH]1.
What is the InChIKey of 1-propan-2-yl-4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-3,6-dihydro-2H-pyridine?
The InChIKey is SNCYWNNWNNVQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-9(2)12-14-13(16-15-12)11-5-7-17(8-6-11)10(3)4/h5,9-10H,6-8H2,1-4H3,(H,14,15,16).
What are the key properties of 1-propan-2-yl-4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-3,6-dihydro-2H-pyridine?
1-propan-2-yl-4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-3,6-dihydro-2H-pyridine has a molecular weight of 234.35 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 166030745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).