5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol

C13H26N4O — CID 64809045

IUPAC5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
SMILESCc1nc(C)n(CCCC(C)(CO)NC(C)C)n1
InChIInChI=1S/C13H26N4O/c1-10(2)15-13(5,9-18)7-6-8-17-12(4)14-11(3)16-17/h10,15,18H,6-9H2,1-5H3
InChIKeyCNHVYCVUEVMQSL-UHFFFAOYSA-N
MW254.38 g/mol
LogP1.42
Rot. Bonds7

About 5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol

5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol (PubChem CID 64809045) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol.

Molecular Properties

Compound Name5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
PubChem CID64809045
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC Name5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
SMILESCc1nc(C)n(CCCC(C)(CO)NC(C)C)n1
InChIInChI=1S/C13H26N4O/c1-10(2)15-13(5,9-18)7-6-8-17-12(4)14-11(3)16-17/h10,15,18H,6-9H2,1-5H3
InChIKeyCNHVYCVUEVMQSL-UHFFFAOYSA-N
XLogP1.42
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
The IUPAC name of 5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol (CID 64809045) is 5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol.
What is the SMILES notation for 5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
The canonical SMILES for 5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol is Cc1nc(C)n(CCCC(C)(CO)NC(C)C)n1.
What is the InChIKey of 5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
The InChIKey is CNHVYCVUEVMQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-10(2)15-13(5,9-18)7-6-8-17-12(4)14-11(3)16-17/h10,15,18H,6-9H2,1-5H3.
What are the key properties of 5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol has a molecular weight of 254.38 g/mol, XLogP of 1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol is sourced from PubChem (CID 64809045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).