N-[(1-methyltriazol-4-yl)methyl]-2-(tetrazol-1-yl)aniline

C11H12N8 — CID 62755418

IUPACN-[(1-methyltriazol-4-yl)methyl]-2-(tetrazol-1-yl)aniline
SMILESCn1cc(CNc2ccccc2-n2cnnn2)nn1
InChIInChI=1S/C11H12N8/c1-18-7-9(14-16-18)6-12-10-4-2-3-5-11(10)19-8-13-15-17-19/h2-5,7-8,12H,6H2,1H3
InChIKeyRLRYBDSGKLAPDS-UHFFFAOYSA-N
MW256.27 g/mol
LogP0.40
Rot. Bonds4

About N-[(1-methyltriazol-4-yl)methyl]-2-(tetrazol-1-yl)aniline

N-[(1-methyltriazol-4-yl)methyl]-2-(tetrazol-1-yl)aniline (PubChem CID 62755418) has the molecular formula C11H12N8 and a molecular weight of 256.27 g/mol. Its IUPAC name is N-[(1-methyltriazol-4-yl)methyl]-2-(tetrazol-1-yl)aniline.

Molecular Properties

Compound NameN-[(1-methyltriazol-4-yl)methyl]-2-(tetrazol-1-yl)aniline
PubChem CID62755418
Molecular FormulaC11H12N8
Molecular Weight256.27 g/mol
Exact Mass256.12
IUPAC NameN-[(1-methyltriazol-4-yl)methyl]-2-(tetrazol-1-yl)aniline
SMILESCn1cc(CNc2ccccc2-n2cnnn2)nn1
InChIInChI=1S/C11H12N8/c1-18-7-9(14-16-18)6-12-10-4-2-3-5-11(10)19-8-13-15-17-19/h2-5,7-8,12H,6H2,1H3
InChIKeyRLRYBDSGKLAPDS-UHFFFAOYSA-N
XLogP0.40
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-methyl-N-[(1-methyltriazol-4-yl)methyl]-4-(tetrazol-1-yl)aniline
CID 62756138
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(tetrazol-1-yl)aniline
CID 43702314
N-[(1-propylpyrazol-4-yl)methyl]-2-(tetrazol-1-yl)aniline
CID 103825560
2-bromo-N-[(1-methyltriazol-4-yl)methyl]aniline
CID 62756659
2-methylsulfanyl-N-[(1-methyltriazol-4-yl)methyl]aniline
CID 62755411
N-(3-methylbutyl)-2-(tetrazol-1-yl)aniline
CID 43702180
2-(tetrazol-1-yl)-N-(1,3-thiazol-5-ylmethyl)aniline
CID 62759060
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(tetrazol-1-yl)aniline
CID 115749259
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(tetrazol-1-yl)aniline
CID 167855564
2-(1-chloroethyl)-N-[(1-methyltriazol-4-yl)methyl]aniline
CID 107054054
N-(cyclopenten-1-ylmethyl)-2-(tetrazol-1-yl)aniline
CID 146144127
N-[(4-fluoro-2-methylphenyl)methyl]-2-(tetrazol-1-yl)aniline
CID 62135429

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyltriazol-4-yl)methyl]-2-(tetrazol-1-yl)aniline?
The IUPAC name of N-[(1-methyltriazol-4-yl)methyl]-2-(tetrazol-1-yl)aniline (CID 62755418) is N-[(1-methyltriazol-4-yl)methyl]-2-(tetrazol-1-yl)aniline.
What is the SMILES notation for N-[(1-methyltriazol-4-yl)methyl]-2-(tetrazol-1-yl)aniline?
The canonical SMILES for N-[(1-methyltriazol-4-yl)methyl]-2-(tetrazol-1-yl)aniline is Cn1cc(CNc2ccccc2-n2cnnn2)nn1.
What is the InChIKey of N-[(1-methyltriazol-4-yl)methyl]-2-(tetrazol-1-yl)aniline?
The InChIKey is RLRYBDSGKLAPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N8/c1-18-7-9(14-16-18)6-12-10-4-2-3-5-11(10)19-8-13-15-17-19/h2-5,7-8,12H,6H2,1H3.
What are the key properties of N-[(1-methyltriazol-4-yl)methyl]-2-(tetrazol-1-yl)aniline?
N-[(1-methyltriazol-4-yl)methyl]-2-(tetrazol-1-yl)aniline has a molecular weight of 256.27 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyltriazol-4-yl)methyl]-2-(tetrazol-1-yl)aniline is sourced from PubChem (CID 62755418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).