(3-ethyl-4-pyridinyl)-(3-methyltriazol-4-yl)methanamine

C11H15N5 — CID 114688955

IUPAC(3-ethyl-4-pyridinyl)-(3-methyltriazol-4-yl)methanamine
SMILESCCc1cnccc1C(N)c1cnnn1C
InChIInChI=1S/C11H15N5/c1-3-8-6-13-5-4-9(8)11(12)10-7-14-15-16(10)2/h4-7,11H,3,12H2,1-2H3
InChIKeyPEGZWKKFACVZSU-UHFFFAOYSA-N
MW217.28 g/mol
LogP0.82
Rot. Bonds3

About (3-ethyl-4-pyridinyl)-(3-methyltriazol-4-yl)methanamine

(3-ethyl-4-pyridinyl)-(3-methyltriazol-4-yl)methanamine (PubChem CID 114688955) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is (3-ethyl-4-pyridinyl)-(3-methyltriazol-4-yl)methanamine.

Molecular Properties

Compound Name(3-ethyl-4-pyridinyl)-(3-methyltriazol-4-yl)methanamine
PubChem CID114688955
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name(3-ethyl-4-pyridinyl)-(3-methyltriazol-4-yl)methanamine
SMILESCCc1cnccc1C(N)c1cnnn1C
InChIInChI=1S/C11H15N5/c1-3-8-6-13-5-4-9(8)11(12)10-7-14-15-16(10)2/h4-7,11H,3,12H2,1-2H3
InChIKeyPEGZWKKFACVZSU-UHFFFAOYSA-N
XLogP0.82
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-chloro-1-propylpyrazol-5-yl)-(3-ethyl-4-pyridinyl)methanamine
CID 114659896
(2-chlorophenyl)-(3-methyltriazol-4-yl)methanamine
CID 114687461
1-(3-methyltriazol-4-yl)-2-propylpentan-1-amine
CID 105043778
3-(3-ethyl-4-pyridinyl)pentane-1,5-diol
CID 26793167
N-[(3-chloro-4-pyridinyl)-(3-methyltriazol-4-yl)methyl]ethanamine
CID 105184574
2-[5-[amino-(3-ethyl-4-pyridinyl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 114659898
[(2-ethylphenyl)-(3-methyltriazol-4-yl)methyl]hydrazine
CID 105337685
(4-butoxyphenyl)-(3-methyltriazol-4-yl)methanamine
CID 105184703
[2-fluoro-3-(trifluoromethyl)phenyl]-(3-methyltriazol-4-yl)methanamine
CID 114688634
(3-chloro-2-pyridinyl)-(3-methyltriazol-4-yl)methanamine
CID 103443748
(3-methyltriazol-4-yl)-(1,3-thiazol-5-yl)methanamine
CID 114688710
3-ethyl-4-(5-methyl-1-phenylhexan-3-yl)pyridine
CID 19783340

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-4-pyridinyl)-(3-methyltriazol-4-yl)methanamine?
The IUPAC name of (3-ethyl-4-pyridinyl)-(3-methyltriazol-4-yl)methanamine (CID 114688955) is (3-ethyl-4-pyridinyl)-(3-methyltriazol-4-yl)methanamine.
What is the SMILES notation for (3-ethyl-4-pyridinyl)-(3-methyltriazol-4-yl)methanamine?
The canonical SMILES for (3-ethyl-4-pyridinyl)-(3-methyltriazol-4-yl)methanamine is CCc1cnccc1C(N)c1cnnn1C.
What is the InChIKey of (3-ethyl-4-pyridinyl)-(3-methyltriazol-4-yl)methanamine?
The InChIKey is PEGZWKKFACVZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-3-8-6-13-5-4-9(8)11(12)10-7-14-15-16(10)2/h4-7,11H,3,12H2,1-2H3.
What are the key properties of (3-ethyl-4-pyridinyl)-(3-methyltriazol-4-yl)methanamine?
(3-ethyl-4-pyridinyl)-(3-methyltriazol-4-yl)methanamine has a molecular weight of 217.28 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-4-pyridinyl)-(3-methyltriazol-4-yl)methanamine is sourced from PubChem (CID 114688955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).