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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Related Compounds

2-(3-methyltriazol-4-yl)-1-(propan-2-ylamino)propan-2-ol
CID 114691275
N-[3-methyl-3-(3-methyltriazol-4-yl)butyl]cyclopropanamine
CID 114691509
1-(cyclopropylamino)-2-(2-phenylpyrazol-3-yl)propan-2-ol
CID 107331455
4,4-dimethoxy-2-(3-methyltriazol-4-yl)butan-2-ol
CID 114685140
1-[(4,4-dimethylcyclohexyl)amino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 111467303
1-(cyclopropylamino)-2-methyl-3-(1-methylpyrazol-4-yl)propan-2-ol
CID 66038933
1-(cyclopropylamino)-2-methyl-3-(1-methyltriazol-4-yl)propan-2-ol
CID 107057678
1-(cyclopropylamino)-2-(4-methoxyphenyl)propan-2-ol
CID 62773017
2-(cyclopentylamino)-1-(3-methyltriazol-4-yl)ethanone
CID 114691892
2-(4-cyclobutylphenyl)-1-(cyclopropylamino)propan-2-ol
CID 116507021
1-(cyclopropylamino)-2-(3-fluoro-5-methylphenyl)propan-2-ol
CID 79704774
2-(1-methylpyrazol-4-yl)-1-(thiolan-3-ylamino)propan-2-ol
CID 115723352

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).