(1R)-1-(1-propan-2-yltriazol-4-yl)ethanamine;hydrochloride

C7H15ClN4 — CID 154577405

IUPAC(1R)-1-(1-propan-2-yltriazol-4-yl)ethanamine;hydrochloride
SMILESCC(C)n1cc([C@@H](C)N)nn1.Cl
InChIInChI=1S/C7H14N4.ClH/c1-5(2)11-4-7(6(3)8)9-10-11;/h4-6H,8H2,1-3H3;1H/t6-;/m1./s1
InChIKeyDYUXRAIPQYWIIB-FYZOBXCZSA-N
MW190.68 g/mol
LogP1.30
Rot. Bonds2

About (1R)-1-(1-propan-2-yltriazol-4-yl)ethanamine;hydrochloride

(1R)-1-(1-propan-2-yltriazol-4-yl)ethanamine;hydrochloride (PubChem CID 154577405) has the molecular formula C7H15ClN4 and a molecular weight of 190.68 g/mol. Its IUPAC name is (1R)-1-(1-propan-2-yltriazol-4-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(1-propan-2-yltriazol-4-yl)ethanamine;hydrochloride
PubChem CID154577405
Molecular FormulaC7H15ClN4
Molecular Weight190.68 g/mol
Exact Mass190.10
IUPAC Name(1R)-1-(1-propan-2-yltriazol-4-yl)ethanamine;hydrochloride
SMILESCC(C)n1cc([C@@H](C)N)nn1.Cl
InChIInChI=1S/C7H14N4.ClH/c1-5(2)11-4-7(6(3)8)9-10-11;/h4-6H,8H2,1-3H3;1H/t6-;/m1./s1
InChIKeyDYUXRAIPQYWIIB-FYZOBXCZSA-N
XLogP1.30
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.68
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methyl-1H-1,2,3-triazol-4-yl)ethan-1-amine
CID 62757243
2-(4-Methyl-1H-1,2,3-triazol-1-yl)ethanamine
CID 45791271
1-(1-methyl-1H-1,2,3-triazol-4-yl)ethan-1-amine
CID 59155120
2-[1-(propan-2-yl)-1H-1,2,3-triazol-4-yl]propan-2-amine
CID 64003978
(1-methyl-1H-1,2,3-triazol-4-yl)methanamine hydrochloride
CID 69061589
(1-ethyl-1H-1,2,3-triazol-5-yl)methanamine
CID 72214389
2-(1-ethyl-1H-1,2,3-triazol-4-yl)ethan-1-amine
CID 83635332
1-(1-methyl-1H-1,2,3-triazol-5-yl)methanamine hydrochloride
CID 110209505
methyl[(1-methyl-1H-1,2,3-triazol-4-yl)methyl]amine hydrochloride
CID 122156619
ethyl[(1-methyl-1H-1,2,3-triazol-4-yl)methyl]amine
CID 62755740
(1-Methyl-1H-1,2,3-triazol-4-YL)methanamine
CID 54595826
4-Ethyl-1-(2-fluoroethyl)triazole
CID 58251782

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(1-propan-2-yltriazol-4-yl)ethanamine;hydrochloride?
The IUPAC name of (1R)-1-(1-propan-2-yltriazol-4-yl)ethanamine;hydrochloride (CID 154577405) is (1R)-1-(1-propan-2-yltriazol-4-yl)ethanamine;hydrochloride.
What is the SMILES notation for (1R)-1-(1-propan-2-yltriazol-4-yl)ethanamine;hydrochloride?
The canonical SMILES for (1R)-1-(1-propan-2-yltriazol-4-yl)ethanamine;hydrochloride is CC(C)n1cc([C@@H](C)N)nn1.Cl.
What is the InChIKey of (1R)-1-(1-propan-2-yltriazol-4-yl)ethanamine;hydrochloride?
The InChIKey is DYUXRAIPQYWIIB-FYZOBXCZSA-N. The full InChI is InChI=1S/C7H14N4.ClH/c1-5(2)11-4-7(6(3)8)9-10-11;/h4-6H,8H2,1-3H3;1H/t6-;/m1./s1.
What are the key properties of (1R)-1-(1-propan-2-yltriazol-4-yl)ethanamine;hydrochloride?
(1R)-1-(1-propan-2-yltriazol-4-yl)ethanamine;hydrochloride has a molecular weight of 190.68 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(1-propan-2-yltriazol-4-yl)ethanamine;hydrochloride is sourced from PubChem (CID 154577405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).