3-(5-methyltetrazol-1-yl)-N-(pyrimidin-5-ylmethyl)aniline

C13H13N7 — CID 62758600

IUPAC3-(5-methyltetrazol-1-yl)-N-(pyrimidin-5-ylmethyl)aniline
SMILESCc1nnnn1-c1cccc(NCc2cncnc2)c1
InChIInChI=1S/C13H13N7/c1-10-17-18-19-20(10)13-4-2-3-12(5-13)16-8-11-6-14-9-15-7-11/h2-7,9,16H,8H2,1H3
InChIKeyZYSFTCBJQQCVBE-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.37
Rot. Bonds4

About 3-(5-methyltetrazol-1-yl)-N-(pyrimidin-5-ylmethyl)aniline

3-(5-methyltetrazol-1-yl)-N-(pyrimidin-5-ylmethyl)aniline (PubChem CID 62758600) has the molecular formula C13H13N7 and a molecular weight of 267.30 g/mol. Its IUPAC name is 3-(5-methyltetrazol-1-yl)-N-(pyrimidin-5-ylmethyl)aniline.

Molecular Properties

Compound Name3-(5-methyltetrazol-1-yl)-N-(pyrimidin-5-ylmethyl)aniline
PubChem CID62758600
Molecular FormulaC13H13N7
Molecular Weight267.30 g/mol
Exact Mass267.12
IUPAC Name3-(5-methyltetrazol-1-yl)-N-(pyrimidin-5-ylmethyl)aniline
SMILESCc1nnnn1-c1cccc(NCc2cncnc2)c1
InChIInChI=1S/C13H13N7/c1-10-17-18-19-20(10)13-4-2-3-12(5-13)16-8-11-6-14-9-15-7-11/h2-7,9,16H,8H2,1H3
InChIKeyZYSFTCBJQQCVBE-UHFFFAOYSA-N
XLogP1.37
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1-methylpyrrol-3-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline
CID 66398115
N-[(1-tert-butylpyrazol-4-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline
CID 78887873
3-(5-methyltetrazol-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]aniline
CID 78882875
3-(5-methyltetrazol-1-yl)-N-prop-2-ynylaniline
CID 63951883
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-[(1-methylimidazol-2-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline
CID 62350456
N-[(2-ethylpyrazol-3-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline
CID 115762802
N-(2-methylbutyl)-3-(5-methyltetrazol-1-yl)aniline
CID 43733948
N-[(2,3-dimethoxyphenyl)methyl]-3-(5-methyltetrazol-1-yl)aniline
CID 78882897
3-(5-methyltetrazol-1-yl)-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]aniline
CID 71985226
[3-(5-methyltetrazol-1-yl)phenyl]thiourea
CID 169356763

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyltetrazol-1-yl)-N-(pyrimidin-5-ylmethyl)aniline?
The IUPAC name of 3-(5-methyltetrazol-1-yl)-N-(pyrimidin-5-ylmethyl)aniline (CID 62758600) is 3-(5-methyltetrazol-1-yl)-N-(pyrimidin-5-ylmethyl)aniline.
What is the SMILES notation for 3-(5-methyltetrazol-1-yl)-N-(pyrimidin-5-ylmethyl)aniline?
The canonical SMILES for 3-(5-methyltetrazol-1-yl)-N-(pyrimidin-5-ylmethyl)aniline is Cc1nnnn1-c1cccc(NCc2cncnc2)c1.
What is the InChIKey of 3-(5-methyltetrazol-1-yl)-N-(pyrimidin-5-ylmethyl)aniline?
The InChIKey is ZYSFTCBJQQCVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N7/c1-10-17-18-19-20(10)13-4-2-3-12(5-13)16-8-11-6-14-9-15-7-11/h2-7,9,16H,8H2,1H3.
What are the key properties of 3-(5-methyltetrazol-1-yl)-N-(pyrimidin-5-ylmethyl)aniline?
3-(5-methyltetrazol-1-yl)-N-(pyrimidin-5-ylmethyl)aniline has a molecular weight of 267.30 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyltetrazol-1-yl)-N-(pyrimidin-5-ylmethyl)aniline is sourced from PubChem (CID 62758600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).