1-(3-tert-butyl-1H-1,2,4-triazol-5-yl)cyclopropan-1-ol

C9H15N3O — CID 135295945

IUPAC1-(3-tert-butyl-1H-1,2,4-triazol-5-yl)cyclopropan-1-ol
SMILESCC(C)(C)c1n[nH]c(C2(O)CC2)n1
InChIInChI=1S/C9H15N3O/c1-8(2,3)6-10-7(12-11-6)9(13)4-5-9/h13H,4-5H2,1-3H3,(H,10,11,12)
InChIKeyDWXTZVZHAARKHI-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.08
Rot. Bonds1

About 1-(3-tert-butyl-1H-1,2,4-triazol-5-yl)cyclopropan-1-ol

1-(3-tert-butyl-1H-1,2,4-triazol-5-yl)cyclopropan-1-ol (PubChem CID 135295945) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 1-(3-tert-butyl-1H-1,2,4-triazol-5-yl)cyclopropan-1-ol.

Molecular Properties

Compound Name1-(3-tert-butyl-1H-1,2,4-triazol-5-yl)cyclopropan-1-ol
PubChem CID135295945
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name1-(3-tert-butyl-1H-1,2,4-triazol-5-yl)cyclopropan-1-ol
SMILESCC(C)(C)c1n[nH]c(C2(O)CC2)n1
InChIInChI=1S/C9H15N3O/c1-8(2,3)6-10-7(12-11-6)9(13)4-5-9/h13H,4-5H2,1-3H3,(H,10,11,12)
InChIKeyDWXTZVZHAARKHI-UHFFFAOYSA-N
XLogP1.08
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-1H-1,2,4-triazol-5-yl)cyclopropan-1-ol?
The IUPAC name of 1-(3-tert-butyl-1H-1,2,4-triazol-5-yl)cyclopropan-1-ol (CID 135295945) is 1-(3-tert-butyl-1H-1,2,4-triazol-5-yl)cyclopropan-1-ol.
What is the SMILES notation for 1-(3-tert-butyl-1H-1,2,4-triazol-5-yl)cyclopropan-1-ol?
The canonical SMILES for 1-(3-tert-butyl-1H-1,2,4-triazol-5-yl)cyclopropan-1-ol is CC(C)(C)c1n[nH]c(C2(O)CC2)n1.
What is the InChIKey of 1-(3-tert-butyl-1H-1,2,4-triazol-5-yl)cyclopropan-1-ol?
The InChIKey is DWXTZVZHAARKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-8(2,3)6-10-7(12-11-6)9(13)4-5-9/h13H,4-5H2,1-3H3,(H,10,11,12).
What are the key properties of 1-(3-tert-butyl-1H-1,2,4-triazol-5-yl)cyclopropan-1-ol?
1-(3-tert-butyl-1H-1,2,4-triazol-5-yl)cyclopropan-1-ol has a molecular weight of 181.24 g/mol, XLogP of 1.08, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-1H-1,2,4-triazol-5-yl)cyclopropan-1-ol is sourced from PubChem (CID 135295945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).