N-methyl-6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]pyridin-2-amine

C16H17N7O — CID 59582521

IUPACN-methyl-6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]pyridin-2-amine
SMILESCNc1cccc(CO/N=C(/c2ccccc2)c2nnnn2C)n1
InChIInChI=1S/C16H17N7O/c1-17-14-10-6-9-13(18-14)11-24-20-15(12-7-4-3-5-8-12)16-19-21-22-23(16)2/h3-10H,11H2,1-2H3,(H,17,18)/b20-15-
InChIKeyVAOJJTLVCIXTEQ-HKWRFOASSA-N
MW323.36 g/mol
LogP1.62
Rot. Bonds6

About N-methyl-6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]pyridin-2-amine

N-methyl-6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]pyridin-2-amine (PubChem CID 59582521) has the molecular formula C16H17N7O and a molecular weight of 323.36 g/mol. Its IUPAC name is N-methyl-6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]pyridin-2-amine
PubChem CID59582521
Molecular FormulaC16H17N7O
Molecular Weight323.36 g/mol
Exact Mass323.15
IUPAC NameN-methyl-6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]pyridin-2-amine
SMILESCNc1cccc(CO/N=C(/c2ccccc2)c2nnnn2C)n1
InChIInChI=1S/C16H17N7O/c1-17-14-10-6-9-13(18-14)11-24-20-15(12-7-4-3-5-8-12)16-19-21-22-23(16)2/h3-10H,11H2,1-2H3,(H,17,18)/b20-15-
InChIKeyVAOJJTLVCIXTEQ-HKWRFOASSA-N
XLogP1.62
TPSA90.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]pyridin-2-amine?
The IUPAC name of N-methyl-6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]pyridin-2-amine (CID 59582521) is N-methyl-6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]pyridin-2-amine.
What is the SMILES notation for N-methyl-6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]pyridin-2-amine?
The canonical SMILES for N-methyl-6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]pyridin-2-amine is CNc1cccc(CO/N=C(/c2ccccc2)c2nnnn2C)n1.
What is the InChIKey of N-methyl-6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]pyridin-2-amine?
The InChIKey is VAOJJTLVCIXTEQ-HKWRFOASSA-N. The full InChI is InChI=1S/C16H17N7O/c1-17-14-10-6-9-13(18-14)11-24-20-15(12-7-4-3-5-8-12)16-19-21-22-23(16)2/h3-10H,11H2,1-2H3,(H,17,18)/b20-15-.
What are the key properties of N-methyl-6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]pyridin-2-amine?
N-methyl-6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]pyridin-2-amine has a molecular weight of 323.36 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]pyridin-2-amine is sourced from PubChem (CID 59582521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).