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

C9H16N4O — CID 114691278

IUPAC1-(cyclopropylamino)-2-(3-methyltriazol-4-yl)propan-2-ol
SMILESCn1nncc1C(C)(O)CNC1CC1
InChIInChI=1S/C9H16N4O/c1-9(14,6-10-7-3-4-7)8-5-11-12-13(8)2/h5,7,10,14H,3-4,6H2,1-2H3
InChIKeyXUVWXBAERLCFBY-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.23
Rot. Bonds4

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

1-(cyclopropylamino)-2-(3-methyltriazol-4-yl)propan-2-ol (PubChem CID 114691278) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-(cyclopropylamino)-2-(3-methyltriazol-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylamino)-2-(3-methyltriazol-4-yl)propan-2-ol
PubChem CID114691278
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name1-(cyclopropylamino)-2-(3-methyltriazol-4-yl)propan-2-ol
SMILESCn1nncc1C(C)(O)CNC1CC1
InChIInChI=1S/C9H16N4O/c1-9(14,6-10-7-3-4-7)8-5-11-12-13(8)2/h5,7,10,14H,3-4,6H2,1-2H3
InChIKeyXUVWXBAERLCFBY-UHFFFAOYSA-N
XLogP-0.23
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-2-(3-methyltriazol-4-yl)propan-2-ol?
The IUPAC name of 1-(cyclopropylamino)-2-(3-methyltriazol-4-yl)propan-2-ol (CID 114691278) is 1-(cyclopropylamino)-2-(3-methyltriazol-4-yl)propan-2-ol.
What is the SMILES notation for 1-(cyclopropylamino)-2-(3-methyltriazol-4-yl)propan-2-ol?
The canonical SMILES for 1-(cyclopropylamino)-2-(3-methyltriazol-4-yl)propan-2-ol is Cn1nncc1C(C)(O)CNC1CC1.
What is the InChIKey of 1-(cyclopropylamino)-2-(3-methyltriazol-4-yl)propan-2-ol?
The InChIKey is XUVWXBAERLCFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-9(14,6-10-7-3-4-7)8-5-11-12-13(8)2/h5,7,10,14H,3-4,6H2,1-2H3.
What are the key properties of 1-(cyclopropylamino)-2-(3-methyltriazol-4-yl)propan-2-ol?
1-(cyclopropylamino)-2-(3-methyltriazol-4-yl)propan-2-ol has a molecular weight of 196.25 g/mol, XLogP of -0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-2-(3-methyltriazol-4-yl)propan-2-ol is sourced from PubChem (CID 114691278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).