(1S)-N-methyl-1-(1-phenyltriazol-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine

C18H19N7 — CID 97226690

IUPAC(1S)-N-methyl-1-(1-phenyltriazol-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine
SMILESC[C@@H](c1cn(-c2ccccc2)nn1)N(C)Cc1nnc2ccccn12
InChIInChI=1S/C18H19N7/c1-14(16-12-25(22-19-16)15-8-4-3-5-9-15)23(2)13-18-21-20-17-10-6-7-11-24(17)18/h3-12,14H,13H2,1-2H3/t14-/m0/s1
InChIKeyGNCUQGHYXXVBBW-AWEZNQCLSA-N
MW333.40 g/mol
LogP2.50
Rot. Bonds5

About (1S)-N-methyl-1-(1-phenyltriazol-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine

(1S)-N-methyl-1-(1-phenyltriazol-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine (PubChem CID 97226690) has the molecular formula C18H19N7 and a molecular weight of 333.40 g/mol. Its IUPAC name is (1S)-N-methyl-1-(1-phenyltriazol-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-methyl-1-(1-phenyltriazol-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine
PubChem CID97226690
Molecular FormulaC18H19N7
Molecular Weight333.40 g/mol
Exact Mass333.17
IUPAC Name(1S)-N-methyl-1-(1-phenyltriazol-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine
SMILESC[C@@H](c1cn(-c2ccccc2)nn1)N(C)Cc1nnc2ccccn12
InChIInChI=1S/C18H19N7/c1-14(16-12-25(22-19-16)15-8-4-3-5-9-15)23(2)13-18-21-20-17-10-6-7-11-24(17)18/h3-12,14H,13H2,1-2H3/t14-/m0/s1
InChIKeyGNCUQGHYXXVBBW-AWEZNQCLSA-N
XLogP2.50
TPSA64.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-1-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)tetrazol-5-amine
CID 56789625
4-(1-chloroethyl)-1-phenyltriazole
CID 71756176
4-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentan-2-amine
CID 43203669
1-[ethyl-[1-(1-phenyltriazol-4-yl)ethyl]amino]-2-methylpropan-2-ol
CID 75436479
N,N-dimethyl-2-[(1S)-1-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]ethyl]aniline
CID 97160726
N,2,6-trimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrimidin-4-amine
CID 126805477
(2S)-N-methyl-2-phenyl-2-phenylsulfanyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 52502293
(3R)-N-methyl-5-oxo-1-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 94816759
3-ethyl-1-methyl-1-[(1-phenylpyrazol-4-yl)methyl]-2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]guanidine;hydroiodide
CID 111414658
1-(4-methyl-1,3-thiazol-5-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]ethanamine
CID 43768206
4-[(1R)-1-(3-methylbutylsulfonyl)ethyl]-1-phenyltriazole
CID 97014497
(2R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)hexan-2-amine
CID 51887428

Frequently Asked Questions

What is the IUPAC name of (1S)-N-methyl-1-(1-phenyltriazol-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine?
The IUPAC name of (1S)-N-methyl-1-(1-phenyltriazol-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine (CID 97226690) is (1S)-N-methyl-1-(1-phenyltriazol-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine.
What is the SMILES notation for (1S)-N-methyl-1-(1-phenyltriazol-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine?
The canonical SMILES for (1S)-N-methyl-1-(1-phenyltriazol-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine is C[C@@H](c1cn(-c2ccccc2)nn1)N(C)Cc1nnc2ccccn12.
What is the InChIKey of (1S)-N-methyl-1-(1-phenyltriazol-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine?
The InChIKey is GNCUQGHYXXVBBW-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H19N7/c1-14(16-12-25(22-19-16)15-8-4-3-5-9-15)23(2)13-18-21-20-17-10-6-7-11-24(17)18/h3-12,14H,13H2,1-2H3/t14-/m0/s1.
What are the key properties of (1S)-N-methyl-1-(1-phenyltriazol-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine?
(1S)-N-methyl-1-(1-phenyltriazol-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine has a molecular weight of 333.40 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-methyl-1-(1-phenyltriazol-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine is sourced from PubChem (CID 97226690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).