7-(naphthalen-2-ylmethyl)-2H-triazolo[4,5-b]pyridin-5-amine

C16H13N5 — CID 126680076

IUPAC7-(naphthalen-2-ylmethyl)-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(Cc2ccc3ccccc3c2)c2n[nH]nc2n1
InChIInChI=1S/C16H13N5/c17-14-9-13(15-16(18-14)20-21-19-15)8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7,9H,8H2,(H3,17,18,19,20,21)
InChIKeyVLCJWTGGMJFGGC-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.68
Rot. Bonds2

About 7-(naphthalen-2-ylmethyl)-2H-triazolo[4,5-b]pyridin-5-amine

7-(naphthalen-2-ylmethyl)-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 126680076) has the molecular formula C16H13N5 and a molecular weight of 275.31 g/mol. Its IUPAC name is 7-(naphthalen-2-ylmethyl)-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-(naphthalen-2-ylmethyl)-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID126680076
Molecular FormulaC16H13N5
Molecular Weight275.31 g/mol
Exact Mass275.12
IUPAC Name7-(naphthalen-2-ylmethyl)-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(Cc2ccc3ccccc3c2)c2n[nH]nc2n1
InChIInChI=1S/C16H13N5/c17-14-9-13(15-16(18-14)20-21-19-15)8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7,9H,8H2,(H3,17,18,19,20,21)
InChIKeyVLCJWTGGMJFGGC-UHFFFAOYSA-N
XLogP2.68
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

L-158809
CID 183134
FK-739 free acid
CID 9801627
2-Ethyl-5,7-dimethyl-3-[9-(1H-tetrazol-5-ylmethyl)-9H-fluoren-2-ylmethyl]-3H-imidazo[4,5-b]pyridine
CID 44373246
7-[(1R)-1-phenyl-3-{[(1S,3S)-3-phenyl-2,3-dihydro-1H-inden-1-yl]amino}propyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 145371765
7-{(1R)-1-phenyl-3-[(4-phenylbicyclo[2.2.2]octan-1-yl)amino]propyl}-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 154702630
2,6-Diphenyl-8-methyl-1-deazapurine
CID 16109426
2-Ethyl-5,7-Dimethyl-3-{(1s)-5-[2-(1h-Tetrazol-5-Yl)phenyl]-2,3-Dihydro-1h-Inden-1-Yl}-3h-Imidazo[4,5-B]pyridine
CID 54178446
Mpo-IN-4
CID 126650041
7-{(1R)-1-phenyl-3-[(trans-4-phenylcyclohexyl)amino]propyl}-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 130450939
7-[(1R)-1,2-diphenylethyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 154702628
L 158338
CID 3036053
5,7-dimethyl-2-propyl-3-[[9-(2H-tetrazol-5-yl)-5-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl]methyl]imidazo[4,5-b]pyridine
CID 10004498

Frequently Asked Questions

What is the IUPAC name of 7-(naphthalen-2-ylmethyl)-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-(naphthalen-2-ylmethyl)-2H-triazolo[4,5-b]pyridin-5-amine (CID 126680076) is 7-(naphthalen-2-ylmethyl)-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-(naphthalen-2-ylmethyl)-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-(naphthalen-2-ylmethyl)-2H-triazolo[4,5-b]pyridin-5-amine is Nc1cc(Cc2ccc3ccccc3c2)c2n[nH]nc2n1.
What is the InChIKey of 7-(naphthalen-2-ylmethyl)-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is VLCJWTGGMJFGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5/c17-14-9-13(15-16(18-14)20-21-19-15)8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7,9H,8H2,(H3,17,18,19,20,21).
What are the key properties of 7-(naphthalen-2-ylmethyl)-2H-triazolo[4,5-b]pyridin-5-amine?
7-(naphthalen-2-ylmethyl)-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 275.31 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(naphthalen-2-ylmethyl)-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 126680076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).