2-(azetidin-1-yl)-1-(3-methyltriazol-4-yl)ethanamine

C8H15N5 — CID 131011065

IUPAC2-(azetidin-1-yl)-1-(3-methyltriazol-4-yl)ethanamine
SMILESCn1nncc1C(N)CN1CCC1
InChIInChI=1S/C8H15N5/c1-12-8(5-10-11-12)7(9)6-13-3-2-4-13/h5,7H,2-4,6,9H2,1H3
InChIKeyIRNCWYYIXCCQQP-UHFFFAOYSA-N
MW181.24 g/mol
LogP-0.48
Rot. Bonds3

About 2-(azetidin-1-yl)-1-(3-methyltriazol-4-yl)ethanamine

2-(azetidin-1-yl)-1-(3-methyltriazol-4-yl)ethanamine (PubChem CID 131011065) has the molecular formula C8H15N5 and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-(azetidin-1-yl)-1-(3-methyltriazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(azetidin-1-yl)-1-(3-methyltriazol-4-yl)ethanamine
PubChem CID131011065
Molecular FormulaC8H15N5
Molecular Weight181.24 g/mol
Exact Mass181.13
IUPAC Name2-(azetidin-1-yl)-1-(3-methyltriazol-4-yl)ethanamine
SMILESCn1nncc1C(N)CN1CCC1
InChIInChI=1S/C8H15N5/c1-12-8(5-10-11-12)7(9)6-13-3-2-4-13/h5,7H,2-4,6,9H2,1H3
InChIKeyIRNCWYYIXCCQQP-UHFFFAOYSA-N
XLogP-0.48
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methyltriazol-4-yl)-2-pyrrolidin-1-ylethanamine
CID 130730117
3-methyl-1-(3-methyltriazol-4-yl)butan-1-amine
CID 114686985
3-amino-3-(3-methyltriazol-4-yl)propanoic acid
CID 131049940
4,4,4-trifluoro-1-(3-methyltriazol-4-yl)butan-1-amine
CID 114688588
1-(3-methyltriazol-4-yl)-3-phenylpropan-1-amine
CID 114687299
2-(azetidin-1-yl)-1-(4-methyl-3-pyridinyl)ethanamine
CID 130699391
2-(azetidin-1-yl)-1-(5-bromo-3-methyltriazol-4-yl)ethanamine
CID 127002795
1-(3-methyltriazol-4-yl)-3-(oxolan-2-yl)propan-1-amine
CID 105043604
2-(3-methyltriazol-4-yl)propan-1-amine
CID 114691377
(1R)-2-(azetidin-1-yl)-1-phenylethanamine
CID 58948538
2-amino-1-(3-methyltriazol-4-yl)ethanol
CID 114685353
1-(3-methyltriazol-4-yl)-2-propylpentan-1-amine
CID 105043778

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-1-yl)-1-(3-methyltriazol-4-yl)ethanamine?
The IUPAC name of 2-(azetidin-1-yl)-1-(3-methyltriazol-4-yl)ethanamine (CID 131011065) is 2-(azetidin-1-yl)-1-(3-methyltriazol-4-yl)ethanamine.
What is the SMILES notation for 2-(azetidin-1-yl)-1-(3-methyltriazol-4-yl)ethanamine?
The canonical SMILES for 2-(azetidin-1-yl)-1-(3-methyltriazol-4-yl)ethanamine is Cn1nncc1C(N)CN1CCC1.
What is the InChIKey of 2-(azetidin-1-yl)-1-(3-methyltriazol-4-yl)ethanamine?
The InChIKey is IRNCWYYIXCCQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5/c1-12-8(5-10-11-12)7(9)6-13-3-2-4-13/h5,7H,2-4,6,9H2,1H3.
What are the key properties of 2-(azetidin-1-yl)-1-(3-methyltriazol-4-yl)ethanamine?
2-(azetidin-1-yl)-1-(3-methyltriazol-4-yl)ethanamine has a molecular weight of 181.24 g/mol, XLogP of -0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-1-yl)-1-(3-methyltriazol-4-yl)ethanamine is sourced from PubChem (CID 131011065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).