[3-methyl-5-[(5-phenyltetrazol-2-yl)methyl]furan-2-yl]methanamine

C14H15N5O — CID 62449218

IUPAC[3-methyl-5-[(5-phenyltetrazol-2-yl)methyl]furan-2-yl]methanamine
SMILESCc1cc(Cn2nnc(-c3ccccc3)n2)oc1CN
InChIInChI=1S/C14H15N5O/c1-10-7-12(20-13(10)8-15)9-19-17-14(16-18-19)11-5-3-2-4-6-11/h2-7H,8-9,15H2,1H3
InChIKeyJXLIHFINEKFKEA-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.75
Rot. Bonds4

About [3-methyl-5-[(5-phenyltetrazol-2-yl)methyl]furan-2-yl]methanamine

[3-methyl-5-[(5-phenyltetrazol-2-yl)methyl]furan-2-yl]methanamine (PubChem CID 62449218) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is [3-methyl-5-[(5-phenyltetrazol-2-yl)methyl]furan-2-yl]methanamine.

Molecular Properties

Compound Name[3-methyl-5-[(5-phenyltetrazol-2-yl)methyl]furan-2-yl]methanamine
PubChem CID62449218
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name[3-methyl-5-[(5-phenyltetrazol-2-yl)methyl]furan-2-yl]methanamine
SMILESCc1cc(Cn2nnc(-c3ccccc3)n2)oc1CN
InChIInChI=1S/C14H15N5O/c1-10-7-12(20-13(10)8-15)9-19-17-14(16-18-19)11-5-3-2-4-6-11/h2-7H,8-9,15H2,1H3
InChIKeyJXLIHFINEKFKEA-UHFFFAOYSA-N
XLogP1.75
TPSA82.76 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 ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-[(5-phenyltetrazol-2-yl)methyl]furan-2-yl]methanamine
CID 62448659
5-[(5-phenyltetrazol-2-yl)methyl]thiophen-2-amine
CID 124530595
2-[(5-phenyltetrazol-2-yl)methyl]furo[3,2-c]quinoline
CID 142717491
N-methyl-1-[5-methyl-4-[(5-phenyltetrazol-2-yl)methyl]furan-2-yl]methanamine
CID 62447912
[4-methyl-3-(5-phenyltetrazol-2-yl)phenyl]methanamine
CID 105406132
[3-methyl-4-(5-phenyltetrazol-2-yl)phenyl]methanamine
CID 62125454
2-[(4,5-dimethoxy-2-methylphenyl)methyl]-5-phenyltetrazole
CID 7278075
N-methyl-1-[5-[(5-phenyltetrazol-2-yl)methyl]furan-3-yl]methanamine
CID 62446607
2-[(5-phenyltetrazol-2-yl)methyl]pyridine
CID 134010962
3-chloro-2-[(5-phenyltetrazol-2-yl)methyl]aniline
CID 63747473
N-[[5-[(5-phenyltetrazol-2-yl)methyl]furan-3-yl]methyl]ethanamine
CID 62446784
3-methyl-5-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,2-oxazole
CID 18099850

Frequently Asked Questions

What is the IUPAC name of [3-methyl-5-[(5-phenyltetrazol-2-yl)methyl]furan-2-yl]methanamine?
The IUPAC name of [3-methyl-5-[(5-phenyltetrazol-2-yl)methyl]furan-2-yl]methanamine (CID 62449218) is [3-methyl-5-[(5-phenyltetrazol-2-yl)methyl]furan-2-yl]methanamine.
What is the SMILES notation for [3-methyl-5-[(5-phenyltetrazol-2-yl)methyl]furan-2-yl]methanamine?
The canonical SMILES for [3-methyl-5-[(5-phenyltetrazol-2-yl)methyl]furan-2-yl]methanamine is Cc1cc(Cn2nnc(-c3ccccc3)n2)oc1CN.
What is the InChIKey of [3-methyl-5-[(5-phenyltetrazol-2-yl)methyl]furan-2-yl]methanamine?
The InChIKey is JXLIHFINEKFKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-10-7-12(20-13(10)8-15)9-19-17-14(16-18-19)11-5-3-2-4-6-11/h2-7H,8-9,15H2,1H3.
What are the key properties of [3-methyl-5-[(5-phenyltetrazol-2-yl)methyl]furan-2-yl]methanamine?
[3-methyl-5-[(5-phenyltetrazol-2-yl)methyl]furan-2-yl]methanamine has a molecular weight of 269.31 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-5-[(5-phenyltetrazol-2-yl)methyl]furan-2-yl]methanamine is sourced from PubChem (CID 62449218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).