2-(cyclopropylamino)-5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpentan-1-ol

C13H24N4O — CID 64809671

IUPAC2-(cyclopropylamino)-5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpentan-1-ol
SMILESCc1nc(C)n(CCCC(C)(CO)NC2CC2)n1
InChIInChI=1S/C13H24N4O/c1-10-14-11(2)17(16-10)8-4-7-13(3,9-18)15-12-5-6-12/h12,15,18H,4-9H2,1-3H3
InChIKeyPWZZIUMHYCKRJX-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.18
Rot. Bonds7

About 2-(cyclopropylamino)-5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpentan-1-ol

2-(cyclopropylamino)-5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpentan-1-ol (PubChem CID 64809671) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-(cyclopropylamino)-5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpentan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpentan-1-ol
PubChem CID64809671
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name2-(cyclopropylamino)-5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpentan-1-ol
SMILESCc1nc(C)n(CCCC(C)(CO)NC2CC2)n1
InChIInChI=1S/C13H24N4O/c1-10-14-11(2)17(16-10)8-4-7-13(3,9-18)15-12-5-6-12/h12,15,18H,4-9H2,1-3H3
InChIKeyPWZZIUMHYCKRJX-UHFFFAOYSA-N
XLogP1.18
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpentan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpentan-1-ol (CID 64809671) is 2-(cyclopropylamino)-5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpentan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpentan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpentan-1-ol is Cc1nc(C)n(CCCC(C)(CO)NC2CC2)n1.
What is the InChIKey of 2-(cyclopropylamino)-5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpentan-1-ol?
The InChIKey is PWZZIUMHYCKRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-10-14-11(2)17(16-10)8-4-7-13(3,9-18)15-12-5-6-12/h12,15,18H,4-9H2,1-3H3.
What are the key properties of 2-(cyclopropylamino)-5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpentan-1-ol?
2-(cyclopropylamino)-5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpentan-1-ol has a molecular weight of 252.36 g/mol, XLogP of 1.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpentan-1-ol is sourced from PubChem (CID 64809671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).