2-amino-2-cyclopropyl-1-(2-methyltriazol-4-yl)propan-1-ol

C9H16N4O — CID 164650248

IUPAC2-amino-2-cyclopropyl-1-(2-methyltriazol-4-yl)propan-1-ol
SMILESCn1ncc(C(O)C(C)(N)C2CC2)n1
InChIInChI=1S/C9H16N4O/c1-9(10,6-3-4-6)8(14)7-5-11-13(2)12-7/h5-6,8,14H,3-4,10H2,1-2H3
InChIKeyLIGWROHTCALZMU-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.02
Rot. Bonds3

About 2-amino-2-cyclopropyl-1-(2-methyltriazol-4-yl)propan-1-ol

2-amino-2-cyclopropyl-1-(2-methyltriazol-4-yl)propan-1-ol (PubChem CID 164650248) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-1-(2-methyltriazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-1-(2-methyltriazol-4-yl)propan-1-ol
PubChem CID164650248
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name2-amino-2-cyclopropyl-1-(2-methyltriazol-4-yl)propan-1-ol
SMILESCn1ncc(C(O)C(C)(N)C2CC2)n1
InChIInChI=1S/C9H16N4O/c1-9(10,6-3-4-6)8(14)7-5-11-13(2)12-7/h5-6,8,14H,3-4,10H2,1-2H3
InChIKeyLIGWROHTCALZMU-UHFFFAOYSA-N
XLogP-0.02
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-2-cyclopropyl-1-(1-methylimidazol-4-yl)propan-1-ol
CID 164650188
1-(2-methyltriazol-4-yl)ethanol
CID 130521764
cyclohexyl-(2-methyltriazol-4-yl)methanol
CID 130521712
[2-chloro-2,2-difluoro-1-(2-methyltriazol-4-yl)ethyl]hydrazine
CID 130603794
3-amino-3-(2-methyltriazol-4-yl)propanoic acid
CID 130613907
1-cyclopropyl-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanamine
CID 83833959
6-(2-methyltriazol-4-yl)bicyclo[3.1.0]hexan-6-ol
CID 130521201
N,N-dimethyl-1-(2-methyltriazol-4-yl)ethane-1,2-diamine
CID 131029070
[(2-methyltriazol-4-yl)-(1H-pyrazol-4-yl)methyl]hydrazine
CID 130603798
2-(methylamino)-2-(2-methyltriazol-4-yl)acetic acid;hydrochloride
CID 154852937
2-cyclobutyl-N-[1-(2-methyltriazol-4-yl)ethyl]-1-phenylethanamine
CID 126822132
1-cyclopropyl-1-pyridin-4-ylethanamine
CID 83826672

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-1-(2-methyltriazol-4-yl)propan-1-ol?
The IUPAC name of 2-amino-2-cyclopropyl-1-(2-methyltriazol-4-yl)propan-1-ol (CID 164650248) is 2-amino-2-cyclopropyl-1-(2-methyltriazol-4-yl)propan-1-ol.
What is the SMILES notation for 2-amino-2-cyclopropyl-1-(2-methyltriazol-4-yl)propan-1-ol?
The canonical SMILES for 2-amino-2-cyclopropyl-1-(2-methyltriazol-4-yl)propan-1-ol is Cn1ncc(C(O)C(C)(N)C2CC2)n1.
What is the InChIKey of 2-amino-2-cyclopropyl-1-(2-methyltriazol-4-yl)propan-1-ol?
The InChIKey is LIGWROHTCALZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-9(10,6-3-4-6)8(14)7-5-11-13(2)12-7/h5-6,8,14H,3-4,10H2,1-2H3.
What are the key properties of 2-amino-2-cyclopropyl-1-(2-methyltriazol-4-yl)propan-1-ol?
2-amino-2-cyclopropyl-1-(2-methyltriazol-4-yl)propan-1-ol has a molecular weight of 196.25 g/mol, XLogP of -0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-1-(2-methyltriazol-4-yl)propan-1-ol is sourced from PubChem (CID 164650248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).