3-methyl-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-(tetrazol-1-yl)aniline

C17H17N7 — CID 56795594

IUPAC3-methyl-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-(tetrazol-1-yl)aniline
SMILESCc1cc(NCc2cn3c(C)cccc3n2)ccc1-n1cnnn1
InChIInChI=1S/C17H17N7/c1-12-8-14(6-7-16(12)24-11-19-21-22-24)18-9-15-10-23-13(2)4-3-5-17(23)20-15/h3-8,10-11,18H,9H2,1-2H3
InChIKeyOFRMKGFJARLBBW-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.54
Rot. Bonds4

About 3-methyl-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-(tetrazol-1-yl)aniline

3-methyl-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-(tetrazol-1-yl)aniline (PubChem CID 56795594) has the molecular formula C17H17N7 and a molecular weight of 319.37 g/mol. Its IUPAC name is 3-methyl-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-(tetrazol-1-yl)aniline.

Molecular Properties

Compound Name3-methyl-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-(tetrazol-1-yl)aniline
PubChem CID56795594
Molecular FormulaC17H17N7
Molecular Weight319.37 g/mol
Exact Mass319.15
IUPAC Name3-methyl-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-(tetrazol-1-yl)aniline
SMILESCc1cc(NCc2cn3c(C)cccc3n2)ccc1-n1cnnn1
InChIInChI=1S/C17H17N7/c1-12-8-14(6-7-16(12)24-11-19-21-22-24)18-9-15-10-23-13(2)4-3-5-17(23)20-15/h3-8,10-11,18H,9H2,1-2H3
InChIKeyOFRMKGFJARLBBW-UHFFFAOYSA-N
XLogP2.54
TPSA72.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

7-methyl-2-[[3-methyl-4-(tetrazol-1-yl)anilino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 42884024
3-methyl-N-[(1-methyltriazol-4-yl)methyl]-4-(tetrazol-1-yl)aniline
CID 62756138
2-methyl-7-[[3-methyl-4-(tetrazol-1-yl)anilino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 55894578
N-ethyl-3-methyl-4-(tetrazol-1-yl)aniline
CID 43732922
7-[[3-methyl-4-(tetrazol-1-yl)anilino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 46566858
N-[(6-bromo-2-pyridinyl)methyl]-4-methyl-3-(tetrazol-1-yl)aniline
CID 115938074
3-methyl-4-(tetrazol-1-yl)-N-(1,3-thiazol-2-ylmethyl)aniline
CID 63655002
3-methyl-N-[(6-methyl-3-pyridinyl)methyl]-4-(tetrazol-1-yl)aniline
CID 104756623
3-methyl-N-(2-phenylethyl)-4-(tetrazol-1-yl)aniline
CID 43732867
3-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(tetrazol-1-yl)aniline
CID 62743208
2-amino-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide
CID 43713144
N-heptyl-3-methyl-4-(tetrazol-1-yl)aniline
CID 43732890

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-(tetrazol-1-yl)aniline?
The IUPAC name of 3-methyl-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-(tetrazol-1-yl)aniline (CID 56795594) is 3-methyl-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-(tetrazol-1-yl)aniline.
What is the SMILES notation for 3-methyl-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-(tetrazol-1-yl)aniline?
The canonical SMILES for 3-methyl-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-(tetrazol-1-yl)aniline is Cc1cc(NCc2cn3c(C)cccc3n2)ccc1-n1cnnn1.
What is the InChIKey of 3-methyl-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-(tetrazol-1-yl)aniline?
The InChIKey is OFRMKGFJARLBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7/c1-12-8-14(6-7-16(12)24-11-19-21-22-24)18-9-15-10-23-13(2)4-3-5-17(23)20-15/h3-8,10-11,18H,9H2,1-2H3.
What are the key properties of 3-methyl-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-(tetrazol-1-yl)aniline?
3-methyl-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-(tetrazol-1-yl)aniline has a molecular weight of 319.37 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-(tetrazol-1-yl)aniline is sourced from PubChem (CID 56795594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).