N-[(1-methylpyrrol-3-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline

C14H16N6 — CID 66398115

IUPACN-[(1-methylpyrrol-3-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline
SMILESCc1nnnn1-c1cccc(NCc2ccn(C)c2)c1
InChIInChI=1S/C14H16N6/c1-11-16-17-18-20(11)14-5-3-4-13(8-14)15-9-12-6-7-19(2)10-12/h3-8,10,15H,9H2,1-2H3
InChIKeyXVSNVIPSQRISRO-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.92
Rot. Bonds4

About N-[(1-methylpyrrol-3-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline

N-[(1-methylpyrrol-3-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline (PubChem CID 66398115) has the molecular formula C14H16N6 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-[(1-methylpyrrol-3-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline.

Molecular Properties

Compound NameN-[(1-methylpyrrol-3-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline
PubChem CID66398115
Molecular FormulaC14H16N6
Molecular Weight268.32 g/mol
Exact Mass268.14
IUPAC NameN-[(1-methylpyrrol-3-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline
SMILESCc1nnnn1-c1cccc(NCc2ccn(C)c2)c1
InChIInChI=1S/C14H16N6/c1-11-16-17-18-20(11)14-5-3-4-13(8-14)15-9-12-6-7-19(2)10-12/h3-8,10,15H,9H2,1-2H3
InChIKeyXVSNVIPSQRISRO-UHFFFAOYSA-N
XLogP1.92
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1-methylpyrrol-3-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(5-methyltetrazol-1-yl)-N-(pyrimidin-5-ylmethyl)aniline
CID 62758600
N-[(1-tert-butylpyrazol-4-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline
CID 78887873
N-[(1-methylimidazol-2-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline
CID 62350456
3-(5-methyltetrazol-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]aniline
CID 78882875
3-methyl-N-[(1-methylpyrrol-3-yl)methyl]aniline
CID 66399139
3-(5-methyltetrazol-1-yl)-N-prop-2-ynylaniline
CID 63951883
N-(2-methylbutyl)-3-(5-methyltetrazol-1-yl)aniline
CID 43733948
N-[(3-methylfuran-2-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline
CID 115744001
N-[(4-bromothiophen-2-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline
CID 43734028
N-[(2-ethylpyrazol-3-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline
CID 115762802
N-[(2,3-dimethoxyphenyl)methyl]-3-(5-methyltetrazol-1-yl)aniline
CID 78882897
N-[(1-methylpyrrol-3-yl)methyl]aniline
CID 66399550

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrol-3-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline?
The IUPAC name of N-[(1-methylpyrrol-3-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline (CID 66398115) is N-[(1-methylpyrrol-3-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline.
What is the SMILES notation for N-[(1-methylpyrrol-3-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline?
The canonical SMILES for N-[(1-methylpyrrol-3-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline is Cc1nnnn1-c1cccc(NCc2ccn(C)c2)c1.
What is the InChIKey of N-[(1-methylpyrrol-3-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline?
The InChIKey is XVSNVIPSQRISRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6/c1-11-16-17-18-20(11)14-5-3-4-13(8-14)15-9-12-6-7-19(2)10-12/h3-8,10,15H,9H2,1-2H3.
What are the key properties of N-[(1-methylpyrrol-3-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline?
N-[(1-methylpyrrol-3-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline has a molecular weight of 268.32 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrol-3-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline is sourced from PubChem (CID 66398115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).