2-methyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-ol

C11H21N3O — CID 80557324

IUPAC2-methyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-ol
SMILESCCCn1ncnc1CC(C)(O)CCC
InChIInChI=1S/C11H21N3O/c1-4-6-11(3,15)8-10-12-9-13-14(10)7-5-2/h9,15H,4-8H2,1-3H3
InChIKeySPMFAEQPWQRXMQ-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.78
Rot. Bonds6

About 2-methyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-ol

2-methyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-ol (PubChem CID 80557324) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-methyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-ol
PubChem CID80557324
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-methyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-ol
SMILESCCCn1ncnc1CC(C)(O)CCC
InChIInChI=1S/C11H21N3O/c1-4-6-11(3,15)8-10-12-9-13-14(10)7-5-2/h9,15H,4-8H2,1-3H3
InChIKeySPMFAEQPWQRXMQ-UHFFFAOYSA-N
XLogP1.78
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-(2-propyl-1,2,4-triazol-3-yl)heptan-2-ol
CID 80557998
3-amino-3-methyl-1-(2-propyl-1,2,4-triazol-3-yl)hexan-2-one
CID 116557013
3,4-dimethyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-ol
CID 115816529
3-propyl-1-(2-propyl-1,2,4-triazol-3-yl)hexan-2-ol
CID 115816584
(2-propyl-1,2,4-triazol-3-yl)methanamine;hydrochloride
CID 139026277
2-(4-methylphenyl)-2-[(2-propyl-1,2,4-triazol-3-yl)methyl]propane-1,3-diol
CID 79444434
3-methyl-3-(methylamino)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-one
CID 116566382
N-tert-butyl-2-cyclopropyl-2-methyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-amine
CID 83159712
2-methyl-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pentan-1-ol
CID 66023702
5-[3-chloro-2-(chloromethyl)-2-phenylpropyl]-1-propyl-1,2,4-triazole
CID 79448256
3,3-dimethyl-2-[(2-propyl-1,2,4-triazol-3-yl)methyl]butan-1-amine
CID 83138306
1-amino-2-methyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-ol
CID 66038636

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-ol?
The IUPAC name of 2-methyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-ol (CID 80557324) is 2-methyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-ol.
What is the SMILES notation for 2-methyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-ol?
The canonical SMILES for 2-methyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-ol is CCCn1ncnc1CC(C)(O)CCC.
What is the InChIKey of 2-methyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-ol?
The InChIKey is SPMFAEQPWQRXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-4-6-11(3,15)8-10-12-9-13-14(10)7-5-2/h9,15H,4-8H2,1-3H3.
What are the key properties of 2-methyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-ol?
2-methyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-ol has a molecular weight of 211.31 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-ol is sourced from PubChem (CID 80557324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).