3-amino-3-(1-methyl-5-propan-2-yltriazol-4-yl)propan-1-ol

C9H18N4O — CID 84774987

IUPAC3-amino-3-(1-methyl-5-propan-2-yltriazol-4-yl)propan-1-ol
SMILESCC(C)c1c(C(N)CCO)nnn1C
InChIInChI=1S/C9H18N4O/c1-6(2)9-8(7(10)4-5-14)11-12-13(9)3/h6-7,14H,4-5,10H2,1-3H3
InChIKeyIOICQDXYRJRJBF-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.32
Rot. Bonds4

About 3-amino-3-(1-methyl-5-propan-2-yltriazol-4-yl)propan-1-ol

3-amino-3-(1-methyl-5-propan-2-yltriazol-4-yl)propan-1-ol (PubChem CID 84774987) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is 3-amino-3-(1-methyl-5-propan-2-yltriazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-3-(1-methyl-5-propan-2-yltriazol-4-yl)propan-1-ol
PubChem CID84774987
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC Name3-amino-3-(1-methyl-5-propan-2-yltriazol-4-yl)propan-1-ol
SMILESCC(C)c1c(C(N)CCO)nnn1C
InChIInChI=1S/C9H18N4O/c1-6(2)9-8(7(10)4-5-14)11-12-13(9)3/h6-7,14H,4-5,10H2,1-3H3
InChIKeyIOICQDXYRJRJBF-UHFFFAOYSA-N
XLogP0.32
TPSA76.96 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 ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-3-(2-propan-2-yltetrazol-5-yl)propan-1-ol
CID 84660178
(3R)-3-amino-3-(1,4-dimethylpyrazol-5-yl)propan-1-ol
CID 96739130
3-amino-3-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)propan-1-ol
CID 84666356
3-amino-3-(triazolo[1,5-a]pyridin-3-yl)propan-1-ol
CID 84663979
(3S)-3-amino-3-(5-bromo-3-methyltriazol-4-yl)propanamide
CID 130586346
3-amino-3-(2,5-dimethylpyrazol-3-yl)propan-1-ol
CID 82598008
N-methyl-1-(1-methyl-5-propan-2-yltriazol-4-yl)methanamine
CID 84765458
1-(5-bromo-3-methyltriazol-4-yl)pentan-1-amine
CID 106462704
5-bromo-1-methyl-4-propan-2-yltriazole
CID 69384327
4,5-di(propan-2-yl)triazol-1-amine
CID 141208194
(3R)-3-amino-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 94420132
1-(5-bromo-3-methyltriazol-4-yl)decan-1-amine
CID 106465292

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(1-methyl-5-propan-2-yltriazol-4-yl)propan-1-ol?
The IUPAC name of 3-amino-3-(1-methyl-5-propan-2-yltriazol-4-yl)propan-1-ol (CID 84774987) is 3-amino-3-(1-methyl-5-propan-2-yltriazol-4-yl)propan-1-ol.
What is the SMILES notation for 3-amino-3-(1-methyl-5-propan-2-yltriazol-4-yl)propan-1-ol?
The canonical SMILES for 3-amino-3-(1-methyl-5-propan-2-yltriazol-4-yl)propan-1-ol is CC(C)c1c(C(N)CCO)nnn1C.
What is the InChIKey of 3-amino-3-(1-methyl-5-propan-2-yltriazol-4-yl)propan-1-ol?
The InChIKey is IOICQDXYRJRJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O/c1-6(2)9-8(7(10)4-5-14)11-12-13(9)3/h6-7,14H,4-5,10H2,1-3H3.
What are the key properties of 3-amino-3-(1-methyl-5-propan-2-yltriazol-4-yl)propan-1-ol?
3-amino-3-(1-methyl-5-propan-2-yltriazol-4-yl)propan-1-ol has a molecular weight of 198.27 g/mol, XLogP of 0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(1-methyl-5-propan-2-yltriazol-4-yl)propan-1-ol is sourced from PubChem (CID 84774987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).