(1S)-1-(3,5-dimethyltriazol-4-yl)propan-1-amine

C7H14N4 — CID 155858824

IUPAC(1S)-1-(3,5-dimethyltriazol-4-yl)propan-1-amine
SMILESCC[C@H](N)c1c(C)nnn1C
InChIInChI=1S/C7H14N4/c1-4-6(8)7-5(2)9-10-11(7)3/h6H,4,8H2,1-3H3/t6-/m0/s1
InChIKeyOYXNTYRBYKSGGN-LURJTMIESA-N
MW154.22 g/mol
LogP0.53
Rot. Bonds2

About (1S)-1-(3,5-dimethyltriazol-4-yl)propan-1-amine

(1S)-1-(3,5-dimethyltriazol-4-yl)propan-1-amine (PubChem CID 155858824) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is (1S)-1-(3,5-dimethyltriazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name(1S)-1-(3,5-dimethyltriazol-4-yl)propan-1-amine
PubChem CID155858824
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC Name(1S)-1-(3,5-dimethyltriazol-4-yl)propan-1-amine
SMILESCC[C@H](N)c1c(C)nnn1C
InChIInChI=1S/C7H14N4/c1-4-6(8)7-5(2)9-10-11(7)3/h6H,4,8H2,1-3H3/t6-/m0/s1
InChIKeyOYXNTYRBYKSGGN-LURJTMIESA-N
XLogP0.53
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3,5-dimethyltriazol-4-yl)propan-1-amine?
The IUPAC name of (1S)-1-(3,5-dimethyltriazol-4-yl)propan-1-amine (CID 155858824) is (1S)-1-(3,5-dimethyltriazol-4-yl)propan-1-amine.
What is the SMILES notation for (1S)-1-(3,5-dimethyltriazol-4-yl)propan-1-amine?
The canonical SMILES for (1S)-1-(3,5-dimethyltriazol-4-yl)propan-1-amine is CC[C@H](N)c1c(C)nnn1C.
What is the InChIKey of (1S)-1-(3,5-dimethyltriazol-4-yl)propan-1-amine?
The InChIKey is OYXNTYRBYKSGGN-LURJTMIESA-N. The full InChI is InChI=1S/C7H14N4/c1-4-6(8)7-5(2)9-10-11(7)3/h6H,4,8H2,1-3H3/t6-/m0/s1.
What are the key properties of (1S)-1-(3,5-dimethyltriazol-4-yl)propan-1-amine?
(1S)-1-(3,5-dimethyltriazol-4-yl)propan-1-amine has a molecular weight of 154.22 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3,5-dimethyltriazol-4-yl)propan-1-amine is sourced from PubChem (CID 155858824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).