2-(3-methyltriazol-4-yl)-1-(propan-2-ylamino)propan-2-ol

C9H18N4O — CID 114691275

IUPAC2-(3-methyltriazol-4-yl)-1-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(C)(O)c1cnnn1C
InChIInChI=1S/C9H18N4O/c1-7(2)10-6-9(3,14)8-5-11-12-13(8)4/h5,7,10,14H,6H2,1-4H3
InChIKeyOKYCRDLCUMAAIW-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.02
Rot. Bonds4

About 2-(3-methyltriazol-4-yl)-1-(propan-2-ylamino)propan-2-ol

2-(3-methyltriazol-4-yl)-1-(propan-2-ylamino)propan-2-ol (PubChem CID 114691275) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-(3-methyltriazol-4-yl)-1-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name2-(3-methyltriazol-4-yl)-1-(propan-2-ylamino)propan-2-ol
PubChem CID114691275
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC Name2-(3-methyltriazol-4-yl)-1-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(C)(O)c1cnnn1C
InChIInChI=1S/C9H18N4O/c1-7(2)10-6-9(3,14)8-5-11-12-13(8)4/h5,7,10,14H,6H2,1-4H3
InChIKeyOKYCRDLCUMAAIW-UHFFFAOYSA-N
XLogP0.02
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(cyclopropylamino)-2-(3-methyltriazol-4-yl)propan-2-ol
CID 114691278
4,4-dimethoxy-2-(3-methyltriazol-4-yl)butan-2-ol
CID 114685140
2-(4-bromo-1-methylpyrazol-5-yl)-1-(propan-2-ylamino)propan-2-ol
CID 114666077
N-ethyl-4-methyl-4-(3-methyltriazol-4-yl)pentan-2-amine
CID 114690474
2-(1-methylpyrazol-4-yl)-1-(propan-2-ylamino)propan-2-ol
CID 66039398
1-(3-fluorophenyl)-2-(3-methyltriazol-4-yl)propan-2-ol
CID 114833392
2-(5-methyl-3-pyridinyl)-1-(propan-2-ylamino)propan-2-ol
CID 115375580
2-methyl-2-[(3-methyltriazol-4-yl)amino]propane-1,3-diol
CID 130486345
2-methyl-2-(3-methyltriazol-4-yl)propanenitrile
CID 130544436
N-tert-butyl-2-methyl-3-(3-methyltriazol-4-yl)butan-1-amine
CID 114691476
1-(methylamino)-2-(2-methylpyrazol-3-yl)propan-2-ol
CID 66036986
2-[3-(2-fluoroethyl)triazol-4-yl]propan-2-ol
CID 84654618

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyltriazol-4-yl)-1-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 2-(3-methyltriazol-4-yl)-1-(propan-2-ylamino)propan-2-ol (CID 114691275) is 2-(3-methyltriazol-4-yl)-1-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 2-(3-methyltriazol-4-yl)-1-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 2-(3-methyltriazol-4-yl)-1-(propan-2-ylamino)propan-2-ol is CC(C)NCC(C)(O)c1cnnn1C.
What is the InChIKey of 2-(3-methyltriazol-4-yl)-1-(propan-2-ylamino)propan-2-ol?
The InChIKey is OKYCRDLCUMAAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O/c1-7(2)10-6-9(3,14)8-5-11-12-13(8)4/h5,7,10,14H,6H2,1-4H3.
What are the key properties of 2-(3-methyltriazol-4-yl)-1-(propan-2-ylamino)propan-2-ol?
2-(3-methyltriazol-4-yl)-1-(propan-2-ylamino)propan-2-ol has a molecular weight of 198.27 g/mol, XLogP of 0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyltriazol-4-yl)-1-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 114691275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).