2-methyl-1-(3-propyl-1H-1,2,4-triazol-5-yl)propan-2-ol

C9H17N3O — CID 67885550

IUPAC2-methyl-1-(3-propyl-1H-1,2,4-triazol-5-yl)propan-2-ol
SMILESCCCc1n[nH]c(CC(C)(C)O)n1
InChIInChI=1S/C9H17N3O/c1-4-5-7-10-8(12-11-7)6-9(2,3)13/h13H,4-6H2,1-3H3,(H,10,11,12)
InChIKeyQEUPZXMEDIERIB-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.07
Rot. Bonds4

About 2-methyl-1-(3-propyl-1H-1,2,4-triazol-5-yl)propan-2-ol

2-methyl-1-(3-propyl-1H-1,2,4-triazol-5-yl)propan-2-ol (PubChem CID 67885550) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-methyl-1-(3-propyl-1H-1,2,4-triazol-5-yl)propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(3-propyl-1H-1,2,4-triazol-5-yl)propan-2-ol
PubChem CID67885550
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name2-methyl-1-(3-propyl-1H-1,2,4-triazol-5-yl)propan-2-ol
SMILESCCCc1n[nH]c(CC(C)(C)O)n1
InChIInChI=1S/C9H17N3O/c1-4-5-7-10-8(12-11-7)6-9(2,3)13/h13H,4-6H2,1-3H3,(H,10,11,12)
InChIKeyQEUPZXMEDIERIB-UHFFFAOYSA-N
XLogP1.07
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-propyl-1H-1,2,4-triazol-5-yl)propan-2-ol?
The IUPAC name of 2-methyl-1-(3-propyl-1H-1,2,4-triazol-5-yl)propan-2-ol (CID 67885550) is 2-methyl-1-(3-propyl-1H-1,2,4-triazol-5-yl)propan-2-ol.
What is the SMILES notation for 2-methyl-1-(3-propyl-1H-1,2,4-triazol-5-yl)propan-2-ol?
The canonical SMILES for 2-methyl-1-(3-propyl-1H-1,2,4-triazol-5-yl)propan-2-ol is CCCc1n[nH]c(CC(C)(C)O)n1.
What is the InChIKey of 2-methyl-1-(3-propyl-1H-1,2,4-triazol-5-yl)propan-2-ol?
The InChIKey is QEUPZXMEDIERIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-4-5-7-10-8(12-11-7)6-9(2,3)13/h13H,4-6H2,1-3H3,(H,10,11,12).
What are the key properties of 2-methyl-1-(3-propyl-1H-1,2,4-triazol-5-yl)propan-2-ol?
2-methyl-1-(3-propyl-1H-1,2,4-triazol-5-yl)propan-2-ol has a molecular weight of 183.25 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-propyl-1H-1,2,4-triazol-5-yl)propan-2-ol is sourced from PubChem (CID 67885550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).