3-amino-3-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)propan-1-ol

C12H22N4O — CID 61361781

IUPAC3-amino-3-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)propan-1-ol
SMILESCc1nnc(C(N)CCO)n1C1CCCCC1
InChIInChI=1S/C12H22N4O/c1-9-14-15-12(11(13)7-8-17)16(9)10-5-3-2-4-6-10/h10-11,17H,2-8,13H2,1H3
InChIKeyMNSPFFJZBLJULY-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.47
Rot. Bonds4

About 3-amino-3-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)propan-1-ol

3-amino-3-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)propan-1-ol (PubChem CID 61361781) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-amino-3-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-3-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)propan-1-ol
PubChem CID61361781
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name3-amino-3-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)propan-1-ol
SMILESCc1nnc(C(N)CCO)n1C1CCCCC1
InChIInChI=1S/C12H22N4O/c1-9-14-15-12(11(13)7-8-17)16(9)10-5-3-2-4-6-10/h10-11,17H,2-8,13H2,1H3
InChIKeyMNSPFFJZBLJULY-UHFFFAOYSA-N
XLogP1.47
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)propan-1-ol?
The IUPAC name of 3-amino-3-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)propan-1-ol (CID 61361781) is 3-amino-3-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)propan-1-ol.
What is the SMILES notation for 3-amino-3-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)propan-1-ol?
The canonical SMILES for 3-amino-3-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)propan-1-ol is Cc1nnc(C(N)CCO)n1C1CCCCC1.
What is the InChIKey of 3-amino-3-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)propan-1-ol?
The InChIKey is MNSPFFJZBLJULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-9-14-15-12(11(13)7-8-17)16(9)10-5-3-2-4-6-10/h10-11,17H,2-8,13H2,1H3.
What are the key properties of 3-amino-3-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)propan-1-ol?
3-amino-3-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)propan-1-ol has a molecular weight of 238.33 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)propan-1-ol is sourced from PubChem (CID 61361781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).