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

C13H13N5O — CID 62448659

IUPAC[3-[(5-phenyltetrazol-2-yl)methyl]furan-2-yl]methanamine
SMILESNCc1occc1Cn1nnc(-c2ccccc2)n1
InChIInChI=1S/C13H13N5O/c14-8-12-11(6-7-19-12)9-18-16-13(15-17-18)10-4-2-1-3-5-10/h1-7H,8-9,14H2
InChIKeyHQDRAAGHHQGZQD-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.44
Rot. Bonds4

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

[3-[(5-phenyltetrazol-2-yl)methyl]furan-2-yl]methanamine (PubChem CID 62448659) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is [3-[(5-phenyltetrazol-2-yl)methyl]furan-2-yl]methanamine.

Molecular Properties

Compound Name[3-[(5-phenyltetrazol-2-yl)methyl]furan-2-yl]methanamine
PubChem CID62448659
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name[3-[(5-phenyltetrazol-2-yl)methyl]furan-2-yl]methanamine
SMILESNCc1occc1Cn1nnc(-c2ccccc2)n1
InChIInChI=1S/C13H13N5O/c14-8-12-11(6-7-19-12)9-18-16-13(15-17-18)10-4-2-1-3-5-10/h1-7H,8-9,14H2
InChIKeyHQDRAAGHHQGZQD-UHFFFAOYSA-N
XLogP1.44
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[(5-phenyltetrazol-2-yl)methyl]furan-2-yl]methanamine?
The IUPAC name of [3-[(5-phenyltetrazol-2-yl)methyl]furan-2-yl]methanamine (CID 62448659) is [3-[(5-phenyltetrazol-2-yl)methyl]furan-2-yl]methanamine.
What is the SMILES notation for [3-[(5-phenyltetrazol-2-yl)methyl]furan-2-yl]methanamine?
The canonical SMILES for [3-[(5-phenyltetrazol-2-yl)methyl]furan-2-yl]methanamine is NCc1occc1Cn1nnc(-c2ccccc2)n1.
What is the InChIKey of [3-[(5-phenyltetrazol-2-yl)methyl]furan-2-yl]methanamine?
The InChIKey is HQDRAAGHHQGZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c14-8-12-11(6-7-19-12)9-18-16-13(15-17-18)10-4-2-1-3-5-10/h1-7H,8-9,14H2.
What are the key properties of [3-[(5-phenyltetrazol-2-yl)methyl]furan-2-yl]methanamine?
[3-[(5-phenyltetrazol-2-yl)methyl]furan-2-yl]methanamine has a molecular weight of 255.28 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(5-phenyltetrazol-2-yl)methyl]furan-2-yl]methanamine is sourced from PubChem (CID 62448659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).