N-[(3-methylfuran-2-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline

C14H15N5O — CID 115744001

IUPACN-[(3-methylfuran-2-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline
SMILESCc1ccoc1CNc1cccc(-n2nnnc2C)c1
InChIInChI=1S/C14H15N5O/c1-10-6-7-20-14(10)9-15-12-4-3-5-13(8-12)19-11(2)16-17-18-19/h3-8,15H,9H2,1-2H3
InChIKeyBZMPLEMYDTYJAF-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.48
Rot. Bonds4

About N-[(3-methylfuran-2-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline

N-[(3-methylfuran-2-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline (PubChem CID 115744001) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is N-[(3-methylfuran-2-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline.

Molecular Properties

Compound NameN-[(3-methylfuran-2-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline
PubChem CID115744001
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC NameN-[(3-methylfuran-2-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline
SMILESCc1ccoc1CNc1cccc(-n2nnnc2C)c1
InChIInChI=1S/C14H15N5O/c1-10-6-7-20-14(10)9-15-12-4-3-5-13(8-12)19-11(2)16-17-18-19/h3-8,15H,9H2,1-2H3
InChIKeyBZMPLEMYDTYJAF-UHFFFAOYSA-N
XLogP2.48
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(5-methyltetrazol-1-yl)-N-(pyrimidin-5-ylmethyl)aniline
CID 62758600
N-[(4-bromothiophen-2-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline
CID 43734028
3-(5-methyltetrazol-1-yl)-N-prop-2-ynylaniline
CID 63951883
N-[(2-ethylpyrazol-3-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline
CID 115762802
N-[(1-methylpyrrol-3-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline
CID 66398115
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
N-(2-methylbutyl)-3-(5-methyltetrazol-1-yl)aniline
CID 43733948
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
3-(5-methyltetrazol-1-yl)-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]aniline
CID 71985226
N-[1-(furan-2-yl)ethyl]-3-(5-methyltetrazol-1-yl)aniline
CID 43734008

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylfuran-2-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline?
The IUPAC name of N-[(3-methylfuran-2-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline (CID 115744001) is N-[(3-methylfuran-2-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline.
What is the SMILES notation for N-[(3-methylfuran-2-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline?
The canonical SMILES for N-[(3-methylfuran-2-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline is Cc1ccoc1CNc1cccc(-n2nnnc2C)c1.
What is the InChIKey of N-[(3-methylfuran-2-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline?
The InChIKey is BZMPLEMYDTYJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-10-6-7-20-14(10)9-15-12-4-3-5-13(8-12)19-11(2)16-17-18-19/h3-8,15H,9H2,1-2H3.
What are the key properties of N-[(3-methylfuran-2-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline?
N-[(3-methylfuran-2-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline has a molecular weight of 269.31 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylfuran-2-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline is sourced from PubChem (CID 115744001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).