[4-(2-methylpropyl)-5-[1-(2-methylpropyl)cyclopentyl]-1,2,4-triazol-3-yl]methanol

C16H29N3O — CID 115397163

IUPAC[4-(2-methylpropyl)-5-[1-(2-methylpropyl)cyclopentyl]-1,2,4-triazol-3-yl]methanol
SMILESCC(C)Cn1c(CO)nnc1C1(CC(C)C)CCCC1
InChIInChI=1S/C16H29N3O/c1-12(2)9-16(7-5-6-8-16)15-18-17-14(11-20)19(15)10-13(3)4/h12-13,20H,5-11H2,1-4H3
InChIKeyQLMMTDMKWBPEKM-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.28
Rot. Bonds6

About [4-(2-methylpropyl)-5-[1-(2-methylpropyl)cyclopentyl]-1,2,4-triazol-3-yl]methanol

[4-(2-methylpropyl)-5-[1-(2-methylpropyl)cyclopentyl]-1,2,4-triazol-3-yl]methanol (PubChem CID 115397163) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is [4-(2-methylpropyl)-5-[1-(2-methylpropyl)cyclopentyl]-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[4-(2-methylpropyl)-5-[1-(2-methylpropyl)cyclopentyl]-1,2,4-triazol-3-yl]methanol
PubChem CID115397163
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name[4-(2-methylpropyl)-5-[1-(2-methylpropyl)cyclopentyl]-1,2,4-triazol-3-yl]methanol
SMILESCC(C)Cn1c(CO)nnc1C1(CC(C)C)CCCC1
InChIInChI=1S/C16H29N3O/c1-12(2)9-16(7-5-6-8-16)15-18-17-14(11-20)19(15)10-13(3)4/h12-13,20H,5-11H2,1-4H3
InChIKeyQLMMTDMKWBPEKM-UHFFFAOYSA-N
XLogP3.28
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2-methylpropyl)-5-[1-(2-methylpropyl)cyclopentyl]-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [4-(2-methylpropyl)-5-[1-(2-methylpropyl)cyclopentyl]-1,2,4-triazol-3-yl]methanol (CID 115397163) is [4-(2-methylpropyl)-5-[1-(2-methylpropyl)cyclopentyl]-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [4-(2-methylpropyl)-5-[1-(2-methylpropyl)cyclopentyl]-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [4-(2-methylpropyl)-5-[1-(2-methylpropyl)cyclopentyl]-1,2,4-triazol-3-yl]methanol is CC(C)Cn1c(CO)nnc1C1(CC(C)C)CCCC1.
What is the InChIKey of [4-(2-methylpropyl)-5-[1-(2-methylpropyl)cyclopentyl]-1,2,4-triazol-3-yl]methanol?
The InChIKey is QLMMTDMKWBPEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-12(2)9-16(7-5-6-8-16)15-18-17-14(11-20)19(15)10-13(3)4/h12-13,20H,5-11H2,1-4H3.
What are the key properties of [4-(2-methylpropyl)-5-[1-(2-methylpropyl)cyclopentyl]-1,2,4-triazol-3-yl]methanol?
[4-(2-methylpropyl)-5-[1-(2-methylpropyl)cyclopentyl]-1,2,4-triazol-3-yl]methanol has a molecular weight of 279.43 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylpropyl)-5-[1-(2-methylpropyl)cyclopentyl]-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 115397163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).