3-(5-methyltetrazol-1-yl)-N-prop-2-ynylaniline

C11H11N5 — CID 63951883

IUPAC3-(5-methyltetrazol-1-yl)-N-prop-2-ynylaniline
SMILESC#CCNc1cccc(-n2nnnc2C)c1
InChIInChI=1S/C11H11N5/c1-3-7-12-10-5-4-6-11(8-10)16-9(2)13-14-15-16/h1,4-6,8,12H,7H2,2H3
InChIKeyIFIAUXWKFXLPIS-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.02
Rot. Bonds3

About 3-(5-methyltetrazol-1-yl)-N-prop-2-ynylaniline

3-(5-methyltetrazol-1-yl)-N-prop-2-ynylaniline (PubChem CID 63951883) has the molecular formula C11H11N5 and a molecular weight of 213.24 g/mol. Its IUPAC name is 3-(5-methyltetrazol-1-yl)-N-prop-2-ynylaniline.

Molecular Properties

Compound Name3-(5-methyltetrazol-1-yl)-N-prop-2-ynylaniline
PubChem CID63951883
Molecular FormulaC11H11N5
Molecular Weight213.24 g/mol
Exact Mass213.10
IUPAC Name3-(5-methyltetrazol-1-yl)-N-prop-2-ynylaniline
SMILESC#CCNc1cccc(-n2nnnc2C)c1
InChIInChI=1S/C11H11N5/c1-3-7-12-10-5-4-6-11(8-10)16-9(2)13-14-15-16/h1,4-6,8,12H,7H2,2H3
InChIKeyIFIAUXWKFXLPIS-UHFFFAOYSA-N
XLogP1.02
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-(5-methyltetrazol-1-yl)-N-(pyrimidin-5-ylmethyl)aniline
CID 62758600
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-[(1-methylpyrrol-3-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline
CID 66398115
N-[(4-bromothiophen-2-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline
CID 43734028
N-[(1-methylimidazol-2-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline
CID 62350456
[3-(5-methyltetrazol-1-yl)phenyl]thiourea
CID 169356763
N-[(2-ethylpyrazol-3-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline
CID 115762802
3-(5-methyltetrazol-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]aniline
CID 78882875
1-bromo-N-[3-(5-methyltetrazol-1-yl)phenyl]methanesulfonamide
CID 83093455
N-[(2,3-dimethoxyphenyl)methyl]-3-(5-methyltetrazol-1-yl)aniline
CID 78882897
N-[(1-tert-butylpyrazol-4-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline
CID 78887873

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyltetrazol-1-yl)-N-prop-2-ynylaniline?
The IUPAC name of 3-(5-methyltetrazol-1-yl)-N-prop-2-ynylaniline (CID 63951883) is 3-(5-methyltetrazol-1-yl)-N-prop-2-ynylaniline.
What is the SMILES notation for 3-(5-methyltetrazol-1-yl)-N-prop-2-ynylaniline?
The canonical SMILES for 3-(5-methyltetrazol-1-yl)-N-prop-2-ynylaniline is C#CCNc1cccc(-n2nnnc2C)c1.
What is the InChIKey of 3-(5-methyltetrazol-1-yl)-N-prop-2-ynylaniline?
The InChIKey is IFIAUXWKFXLPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5/c1-3-7-12-10-5-4-6-11(8-10)16-9(2)13-14-15-16/h1,4-6,8,12H,7H2,2H3.
What are the key properties of 3-(5-methyltetrazol-1-yl)-N-prop-2-ynylaniline?
3-(5-methyltetrazol-1-yl)-N-prop-2-ynylaniline has a molecular weight of 213.24 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyltetrazol-1-yl)-N-prop-2-ynylaniline is sourced from PubChem (CID 63951883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).