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

C9H16N4O — CID 107057618

IUPAC1-(cyclopropylamino)-3-(1-methyltriazol-4-yl)propan-2-ol
SMILESCn1cc(CC(O)CNC2CC2)nn1
InChIInChI=1S/C9H16N4O/c1-13-6-8(11-12-13)4-9(14)5-10-7-2-3-7/h6-7,9-10,14H,2-5H2,1H3
InChIKeyGWOOMCGIUWHVRE-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.53
Rot. Bonds5

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

1-(cyclopropylamino)-3-(1-methyltriazol-4-yl)propan-2-ol (PubChem CID 107057618) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-(1-methyltriazol-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-(1-methyltriazol-4-yl)propan-2-ol
PubChem CID107057618
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name1-(cyclopropylamino)-3-(1-methyltriazol-4-yl)propan-2-ol
SMILESCn1cc(CC(O)CNC2CC2)nn1
InChIInChI=1S/C9H16N4O/c1-13-6-8(11-12-13)4-9(14)5-10-7-2-3-7/h6-7,9-10,14H,2-5H2,1H3
InChIKeyGWOOMCGIUWHVRE-UHFFFAOYSA-N
XLogP-0.53
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclobutyl-2-(1-methyltriazol-4-yl)ethanol
CID 107046208
4-chloro-N-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-amine
CID 107054010
N-[2-[(2-bromophenyl)methyl]-3-(1-methyltriazol-4-yl)propyl]cyclopropanamine
CID 107053062
N-[2-(3-fluorophenyl)-3-(1-methyltriazol-4-yl)propyl]cyclopropanamine
CID 107053416
N-[2-(3-chlorophenyl)-3-(1-methyltriazol-4-yl)propyl]cyclopropanamine
CID 107053433
1-(1-methyltriazol-4-yl)pentan-2-ol
CID 107045999
N-[2-[(3-bromophenyl)methyl]-3-(1-methyltriazol-4-yl)propyl]cyclopropanamine
CID 107053018
N-[4-(1-methyltriazol-4-yl)butyl]cyclopropanamine
CID 107054857
1-(cyclopropylamino)-2-methyl-3-(1-methyltriazol-4-yl)propan-2-ol
CID 107057678
1-(1-methyltriazol-4-yl)hexan-2-ol
CID 107046013
2-cyclopentyl-3-(1-methyltriazol-4-yl)propan-1-ol
CID 107057890
1-(4-methylcyclohexyl)-2-(1-methyltriazol-4-yl)ethanol
CID 107046119

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-(1-methyltriazol-4-yl)propan-2-ol?
The IUPAC name of 1-(cyclopropylamino)-3-(1-methyltriazol-4-yl)propan-2-ol (CID 107057618) is 1-(cyclopropylamino)-3-(1-methyltriazol-4-yl)propan-2-ol.
What is the SMILES notation for 1-(cyclopropylamino)-3-(1-methyltriazol-4-yl)propan-2-ol?
The canonical SMILES for 1-(cyclopropylamino)-3-(1-methyltriazol-4-yl)propan-2-ol is Cn1cc(CC(O)CNC2CC2)nn1.
What is the InChIKey of 1-(cyclopropylamino)-3-(1-methyltriazol-4-yl)propan-2-ol?
The InChIKey is GWOOMCGIUWHVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-13-6-8(11-12-13)4-9(14)5-10-7-2-3-7/h6-7,9-10,14H,2-5H2,1H3.
What are the key properties of 1-(cyclopropylamino)-3-(1-methyltriazol-4-yl)propan-2-ol?
1-(cyclopropylamino)-3-(1-methyltriazol-4-yl)propan-2-ol has a molecular weight of 196.25 g/mol, XLogP of -0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-(1-methyltriazol-4-yl)propan-2-ol is sourced from PubChem (CID 107057618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).