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

C8H16N4O — CID 145069151

IUPAC2-amino-3-(1-propan-2-yltriazol-4-yl)propan-1-ol
SMILESCC(C)n1cc(CC(N)CO)nn1
InChIInChI=1S/C8H16N4O/c1-6(2)12-4-8(10-11-12)3-7(9)5-13/h4,6-7,13H,3,5,9H2,1-2H3
InChIKeyMQJCKTNWCKQBDA-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.28
Rot. Bonds4

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

2-amino-3-(1-propan-2-yltriazol-4-yl)propan-1-ol (PubChem CID 145069151) has the molecular formula C8H16N4O and a molecular weight of 184.24 g/mol. Its IUPAC name is 2-amino-3-(1-propan-2-yltriazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name2-amino-3-(1-propan-2-yltriazol-4-yl)propan-1-ol
PubChem CID145069151
Molecular FormulaC8H16N4O
Molecular Weight184.24 g/mol
Exact Mass184.13
IUPAC Name2-amino-3-(1-propan-2-yltriazol-4-yl)propan-1-ol
SMILESCC(C)n1cc(CC(N)CO)nn1
InChIInChI=1S/C8H16N4O/c1-6(2)12-4-8(10-11-12)3-7(9)5-13/h4,6-7,13H,3,5,9H2,1-2H3
InChIKeyMQJCKTNWCKQBDA-UHFFFAOYSA-N
XLogP-0.28
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1-propan-2-yltriazol-4-yl)propan-1-ol?
The IUPAC name of 2-amino-3-(1-propan-2-yltriazol-4-yl)propan-1-ol (CID 145069151) is 2-amino-3-(1-propan-2-yltriazol-4-yl)propan-1-ol.
What is the SMILES notation for 2-amino-3-(1-propan-2-yltriazol-4-yl)propan-1-ol?
The canonical SMILES for 2-amino-3-(1-propan-2-yltriazol-4-yl)propan-1-ol is CC(C)n1cc(CC(N)CO)nn1.
What is the InChIKey of 2-amino-3-(1-propan-2-yltriazol-4-yl)propan-1-ol?
The InChIKey is MQJCKTNWCKQBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O/c1-6(2)12-4-8(10-11-12)3-7(9)5-13/h4,6-7,13H,3,5,9H2,1-2H3.
What are the key properties of 2-amino-3-(1-propan-2-yltriazol-4-yl)propan-1-ol?
2-amino-3-(1-propan-2-yltriazol-4-yl)propan-1-ol has a molecular weight of 184.24 g/mol, XLogP of -0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1-propan-2-yltriazol-4-yl)propan-1-ol is sourced from PubChem (CID 145069151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).