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

C9H13N5O — CID 107042362

IUPAC1-(5-methylfuran-2-yl)-N-[(2-methyltetrazol-5-yl)methyl]methanamine
SMILESCc1ccc(CNCc2nnn(C)n2)o1
InChIInChI=1S/C9H13N5O/c1-7-3-4-8(15-7)5-10-6-9-11-13-14(2)12-9/h3-4,10H,5-6H2,1-2H3
InChIKeyRMQDZWHQJXGYEF-UHFFFAOYSA-N
MW207.24 g/mol
LogP0.40
Rot. Bonds4

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

1-(5-methylfuran-2-yl)-N-[(2-methyltetrazol-5-yl)methyl]methanamine (PubChem CID 107042362) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is 1-(5-methylfuran-2-yl)-N-[(2-methyltetrazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(5-methylfuran-2-yl)-N-[(2-methyltetrazol-5-yl)methyl]methanamine
PubChem CID107042362
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC Name1-(5-methylfuran-2-yl)-N-[(2-methyltetrazol-5-yl)methyl]methanamine
SMILESCc1ccc(CNCc2nnn(C)n2)o1
InChIInChI=1S/C9H13N5O/c1-7-3-4-8(15-7)5-10-6-9-11-13-14(2)12-9/h3-4,10H,5-6H2,1-2H3
InChIKeyRMQDZWHQJXGYEF-UHFFFAOYSA-N
XLogP0.40
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-methylfuran-2-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine
CID 115645209
N-[(5-methylfuran-2-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine
CID 104627021
N-[(2-methyltetrazol-5-yl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine
CID 107042236
[(5-methylfuran-2-yl)methylamino]methanol
CID 115229060
N-[(5-methylfuran-2-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine
CID 66414995
N-[(5-methylfuran-2-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 61214870
N-[(3,5-dimethylphenyl)methyl]-1-(5-methylfuran-2-yl)methanamine
CID 55081933
N-[(2-methyltetrazol-5-yl)methyl]-1-naphthalen-1-ylmethanamine
CID 107042355
2,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrrol-1-amine
CID 79100351
N-(methoxymethyl)-1-(5-methylfuran-2-yl)methanamine
CID 115258606
1-(2,5-difluorophenyl)-N-[(2-methyltetrazol-5-yl)methyl]methanamine
CID 107042414
2-(2-fluorophenyl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine
CID 107042037

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylfuran-2-yl)-N-[(2-methyltetrazol-5-yl)methyl]methanamine?
The IUPAC name of 1-(5-methylfuran-2-yl)-N-[(2-methyltetrazol-5-yl)methyl]methanamine (CID 107042362) is 1-(5-methylfuran-2-yl)-N-[(2-methyltetrazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-(5-methylfuran-2-yl)-N-[(2-methyltetrazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-(5-methylfuran-2-yl)-N-[(2-methyltetrazol-5-yl)methyl]methanamine is Cc1ccc(CNCc2nnn(C)n2)o1.
What is the InChIKey of 1-(5-methylfuran-2-yl)-N-[(2-methyltetrazol-5-yl)methyl]methanamine?
The InChIKey is RMQDZWHQJXGYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c1-7-3-4-8(15-7)5-10-6-9-11-13-14(2)12-9/h3-4,10H,5-6H2,1-2H3.
What are the key properties of 1-(5-methylfuran-2-yl)-N-[(2-methyltetrazol-5-yl)methyl]methanamine?
1-(5-methylfuran-2-yl)-N-[(2-methyltetrazol-5-yl)methyl]methanamine has a molecular weight of 207.24 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylfuran-2-yl)-N-[(2-methyltetrazol-5-yl)methyl]methanamine is sourced from PubChem (CID 107042362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).