N-(pyridin-3-ylmethyl)-3-(2H-tetrazol-5-yl)aniline

C13H12N6 — CID 43732044

IUPACN-(pyridin-3-ylmethyl)-3-(2H-tetrazol-5-yl)aniline
SMILESc1cncc(CNc2cccc(-c3nn[nH]n3)c2)c1
InChIInChI=1S/C13H12N6/c1-4-11(13-16-18-19-17-13)7-12(5-1)15-9-10-3-2-6-14-8-10/h1-8,15H,9H2,(H,16,17,18,19)
InChIKeyZDWDPTMWPOJGLI-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.87
Rot. Bonds4

About N-(pyridin-3-ylmethyl)-3-(2H-tetrazol-5-yl)aniline

N-(pyridin-3-ylmethyl)-3-(2H-tetrazol-5-yl)aniline (PubChem CID 43732044) has the molecular formula C13H12N6 and a molecular weight of 252.28 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-3-(2H-tetrazol-5-yl)aniline.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-3-(2H-tetrazol-5-yl)aniline
PubChem CID43732044
Molecular FormulaC13H12N6
Molecular Weight252.28 g/mol
Exact Mass252.11
IUPAC NameN-(pyridin-3-ylmethyl)-3-(2H-tetrazol-5-yl)aniline
SMILESc1cncc(CNc2cccc(-c3nn[nH]n3)c2)c1
InChIInChI=1S/C13H12N6/c1-4-11(13-16-18-19-17-13)7-12(5-1)15-9-10-3-2-6-14-8-10/h1-8,15H,9H2,(H,16,17,18,19)
InChIKeyZDWDPTMWPOJGLI-UHFFFAOYSA-N
XLogP1.87
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 13304847
3-(1,3,4-oxadiazol-2-yl)-N-(pyridin-3-ylmethyl)aniline
CID 28713579
3-(2H-tetrazol-5-yl)-N-(thiophen-2-ylmethyl)aniline
CID 43732043
N-[(4-bromo-3-methylphenyl)methyl]-3-(2H-tetrazol-5-yl)aniline
CID 66474413
N-[(1-methylpyrrol-2-yl)methyl]-3-(2H-tetrazol-5-yl)aniline
CID 62133138
N-[(2-ethylpyrazol-3-yl)methyl]-3-(2H-tetrazol-5-yl)aniline
CID 115879496
3-[5-(pyridin-3-ylmethylamino)-3-pyridinyl]phenol
CID 68947843
4-methyl-2-[[3-(2H-tetrazol-5-yl)anilino]methyl]phenol
CID 63325066
3-[(pyrimidin-4-ylamino)methyl]-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
CID 166211148
N-(pyridin-3-ylmethyl)-3-pyrrol-1-ylaniline
CID 43732990
5-[[3-(2H-tetrazol-5-yl)anilino]methyl]furan-3-carboxylic acid
CID 104608500
2-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]ethanesulfonamide
CID 110720322

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-3-(2H-tetrazol-5-yl)aniline?
The IUPAC name of N-(pyridin-3-ylmethyl)-3-(2H-tetrazol-5-yl)aniline (CID 43732044) is N-(pyridin-3-ylmethyl)-3-(2H-tetrazol-5-yl)aniline.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-3-(2H-tetrazol-5-yl)aniline?
The canonical SMILES for N-(pyridin-3-ylmethyl)-3-(2H-tetrazol-5-yl)aniline is c1cncc(CNc2cccc(-c3nn[nH]n3)c2)c1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-3-(2H-tetrazol-5-yl)aniline?
The InChIKey is ZDWDPTMWPOJGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6/c1-4-11(13-16-18-19-17-13)7-12(5-1)15-9-10-3-2-6-14-8-10/h1-8,15H,9H2,(H,16,17,18,19).
What are the key properties of N-(pyridin-3-ylmethyl)-3-(2H-tetrazol-5-yl)aniline?
N-(pyridin-3-ylmethyl)-3-(2H-tetrazol-5-yl)aniline has a molecular weight of 252.28 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-3-(2H-tetrazol-5-yl)aniline is sourced from PubChem (CID 43732044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).