1-butyl-3-cyclopentyl-5-[(2R)-2-methyloxolan-2-yl]-1,2,4-triazole

C16H27N3O — CID 97452823

IUPAC1-butyl-3-cyclopentyl-5-[(2R)-2-methyloxolan-2-yl]-1,2,4-triazole
SMILESCCCCn1nc(C2CCCC2)nc1[C@@]1(C)CCCO1
InChIInChI=1S/C16H27N3O/c1-3-4-11-19-15(16(2)10-7-12-20-16)17-14(18-19)13-8-5-6-9-13/h13H,3-12H2,1-2H3/t16-/m1/s1
InChIKeyWAROBRPOHOOVQE-MRXNPFEDSA-N
MW277.41 g/mol
LogP3.76
Rot. Bonds5

About 1-butyl-3-cyclopentyl-5-[(2R)-2-methyloxolan-2-yl]-1,2,4-triazole

1-butyl-3-cyclopentyl-5-[(2R)-2-methyloxolan-2-yl]-1,2,4-triazole (PubChem CID 97452823) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-butyl-3-cyclopentyl-5-[(2R)-2-methyloxolan-2-yl]-1,2,4-triazole.

Molecular Properties

Compound Name1-butyl-3-cyclopentyl-5-[(2R)-2-methyloxolan-2-yl]-1,2,4-triazole
PubChem CID97452823
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name1-butyl-3-cyclopentyl-5-[(2R)-2-methyloxolan-2-yl]-1,2,4-triazole
SMILESCCCCn1nc(C2CCCC2)nc1[C@@]1(C)CCCO1
InChIInChI=1S/C16H27N3O/c1-3-4-11-19-15(16(2)10-7-12-20-16)17-14(18-19)13-8-5-6-9-13/h13H,3-12H2,1-2H3/t16-/m1/s1
InChIKeyWAROBRPOHOOVQE-MRXNPFEDSA-N
XLogP3.76
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-(2-methyloxolan-2-yl)tetrazol-1-yl]butan-1-amine
CID 106387303
4-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-4-ethylpiperidine
CID 55177966
3-[5-(2-methyloxan-2-yl)tetrazol-1-yl]propan-1-amine
CID 80680613
(R)-cyclohexyl-[5-(oxan-4-yl)-2-propyl-1,2,4-triazol-3-yl]methanol
CID 74232900
1-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-3-methylcyclohexan-1-amine
CID 62722733
4-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-4-methyloxolan-3-amine
CID 66249794
1-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)cyclopentan-1-amine
CID 62721241
2-[(2-butyl-5-cyclopropyl-1,2,4-triazol-3-yl)methyl]tetrazole
CID 72901328
1-butyl-3-cyclohexylpyrazole-4-carbaldehyde
CID 61270306
1-butyl-3-cyclopropyl-5-(2,4-dimethoxyphenyl)-1,2,4-triazole
CID 72861053
4-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-4-methyloxolan-3-amine
CID 66249793
4-[4-[(2-butyl-5-cyclohexyl-1,2,4-triazol-3-yl)methyl]phenyl]pyridine-3-carboxylic acid
CID 18700699

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-cyclopentyl-5-[(2R)-2-methyloxolan-2-yl]-1,2,4-triazole?
The IUPAC name of 1-butyl-3-cyclopentyl-5-[(2R)-2-methyloxolan-2-yl]-1,2,4-triazole (CID 97452823) is 1-butyl-3-cyclopentyl-5-[(2R)-2-methyloxolan-2-yl]-1,2,4-triazole.
What is the SMILES notation for 1-butyl-3-cyclopentyl-5-[(2R)-2-methyloxolan-2-yl]-1,2,4-triazole?
The canonical SMILES for 1-butyl-3-cyclopentyl-5-[(2R)-2-methyloxolan-2-yl]-1,2,4-triazole is CCCCn1nc(C2CCCC2)nc1[C@@]1(C)CCCO1.
What is the InChIKey of 1-butyl-3-cyclopentyl-5-[(2R)-2-methyloxolan-2-yl]-1,2,4-triazole?
The InChIKey is WAROBRPOHOOVQE-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H27N3O/c1-3-4-11-19-15(16(2)10-7-12-20-16)17-14(18-19)13-8-5-6-9-13/h13H,3-12H2,1-2H3/t16-/m1/s1.
What are the key properties of 1-butyl-3-cyclopentyl-5-[(2R)-2-methyloxolan-2-yl]-1,2,4-triazole?
1-butyl-3-cyclopentyl-5-[(2R)-2-methyloxolan-2-yl]-1,2,4-triazole has a molecular weight of 277.41 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-cyclopentyl-5-[(2R)-2-methyloxolan-2-yl]-1,2,4-triazole is sourced from PubChem (CID 97452823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).