2-methyl-N-(1H-pyrazol-5-ylmethyl)-5-(tetrazol-1-yl)aniline

C12H13N7 — CID 43700438

IUPAC2-methyl-N-(1H-pyrazol-5-ylmethyl)-5-(tetrazol-1-yl)aniline
SMILESCc1ccc(-n2cnnn2)cc1NCc1ccn[nH]1
InChIInChI=1S/C12H13N7/c1-9-2-3-11(19-8-15-17-18-19)6-12(9)13-7-10-4-5-14-16-10/h2-6,8,13H,7H2,1H3,(H,14,16)
InChIKeyNAVORKLSRSWVAZ-UHFFFAOYSA-N
MW255.29 g/mol
LogP1.31
Rot. Bonds4

About 2-methyl-N-(1H-pyrazol-5-ylmethyl)-5-(tetrazol-1-yl)aniline

2-methyl-N-(1H-pyrazol-5-ylmethyl)-5-(tetrazol-1-yl)aniline (PubChem CID 43700438) has the molecular formula C12H13N7 and a molecular weight of 255.29 g/mol. Its IUPAC name is 2-methyl-N-(1H-pyrazol-5-ylmethyl)-5-(tetrazol-1-yl)aniline.

Molecular Properties

Compound Name2-methyl-N-(1H-pyrazol-5-ylmethyl)-5-(tetrazol-1-yl)aniline
PubChem CID43700438
Molecular FormulaC12H13N7
Molecular Weight255.29 g/mol
Exact Mass255.12
IUPAC Name2-methyl-N-(1H-pyrazol-5-ylmethyl)-5-(tetrazol-1-yl)aniline
SMILESCc1ccc(-n2cnnn2)cc1NCc1ccn[nH]1
InChIInChI=1S/C12H13N7/c1-9-2-3-11(19-8-15-17-18-19)6-12(9)13-7-10-4-5-14-16-10/h2-6,8,13H,7H2,1H3,(H,14,16)
InChIKeyNAVORKLSRSWVAZ-UHFFFAOYSA-N
XLogP1.31
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-2-methyl-5-(tetrazol-1-yl)aniline
CID 43700273
2-methyl-N-(pyrimidin-5-ylmethyl)-5-(tetrazol-1-yl)aniline
CID 62760274
2-methyl-N-[1-(1H-pyrazol-5-yl)ethyl]-5-(tetrazol-1-yl)aniline
CID 60972786
2-methyl-N-[(3-methylthiophen-2-yl)methyl]-5-(tetrazol-1-yl)aniline
CID 43700233
2-methyl-N-[(3-methylphenyl)methyl]-5-(tetrazol-1-yl)aniline
CID 43700201
2-methyl-N-[(1-methylpyrrol-3-yl)methyl]-5-(tetrazol-1-yl)aniline
CID 66400009
3-[2-methyl-5-(tetrazol-1-yl)anilino]propan-1-ol
CID 75426087
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methyl-5-(tetrazol-1-yl)aniline
CID 43700407
N-[(3-bromophenyl)methyl]-2-methyl-5-(tetrazol-1-yl)aniline
CID 43700172
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methyl-5-(tetrazol-1-yl)aniline
CID 79570692
N-[(4,5-dibromofuran-2-yl)methyl]-2-methyl-5-(tetrazol-1-yl)aniline
CID 62085376
N-[(3-fluorophenyl)methyl]-2-methyl-5-(tetrazol-1-yl)aniline
CID 43700188

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1H-pyrazol-5-ylmethyl)-5-(tetrazol-1-yl)aniline?
The IUPAC name of 2-methyl-N-(1H-pyrazol-5-ylmethyl)-5-(tetrazol-1-yl)aniline (CID 43700438) is 2-methyl-N-(1H-pyrazol-5-ylmethyl)-5-(tetrazol-1-yl)aniline.
What is the SMILES notation for 2-methyl-N-(1H-pyrazol-5-ylmethyl)-5-(tetrazol-1-yl)aniline?
The canonical SMILES for 2-methyl-N-(1H-pyrazol-5-ylmethyl)-5-(tetrazol-1-yl)aniline is Cc1ccc(-n2cnnn2)cc1NCc1ccn[nH]1.
What is the InChIKey of 2-methyl-N-(1H-pyrazol-5-ylmethyl)-5-(tetrazol-1-yl)aniline?
The InChIKey is NAVORKLSRSWVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N7/c1-9-2-3-11(19-8-15-17-18-19)6-12(9)13-7-10-4-5-14-16-10/h2-6,8,13H,7H2,1H3,(H,14,16).
What are the key properties of 2-methyl-N-(1H-pyrazol-5-ylmethyl)-5-(tetrazol-1-yl)aniline?
2-methyl-N-(1H-pyrazol-5-ylmethyl)-5-(tetrazol-1-yl)aniline has a molecular weight of 255.29 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1H-pyrazol-5-ylmethyl)-5-(tetrazol-1-yl)aniline is sourced from PubChem (CID 43700438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).