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

C7H10N6O — CID 106417467

IUPACN-[(2-methyltetrazol-5-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine
SMILESCn1nnc(CNCc2ccno2)n1
InChIInChI=1S/C7H10N6O/c1-13-11-7(10-12-13)5-8-4-6-2-3-9-14-6/h2-3,8H,4-5H2,1H3
InChIKeyPJNRFPCKFOWJPS-UHFFFAOYSA-N
MW194.20 g/mol
LogP-0.51
Rot. Bonds4

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

N-[(2-methyltetrazol-5-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine (PubChem CID 106417467) has the molecular formula C7H10N6O and a molecular weight of 194.20 g/mol. Its IUPAC name is N-[(2-methyltetrazol-5-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine.

Molecular Properties

Compound NameN-[(2-methyltetrazol-5-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine
PubChem CID106417467
Molecular FormulaC7H10N6O
Molecular Weight194.20 g/mol
Exact Mass194.09
IUPAC NameN-[(2-methyltetrazol-5-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine
SMILESCn1nnc(CNCc2ccno2)n1
InChIInChI=1S/C7H10N6O/c1-13-11-7(10-12-13)5-8-4-6-2-3-9-14-6/h2-3,8H,4-5H2,1H3
InChIKeyPJNRFPCKFOWJPS-UHFFFAOYSA-N
XLogP-0.51
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methyltetrazol-5-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine?
The IUPAC name of N-[(2-methyltetrazol-5-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine (CID 106417467) is N-[(2-methyltetrazol-5-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine.
What is the SMILES notation for N-[(2-methyltetrazol-5-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine?
The canonical SMILES for N-[(2-methyltetrazol-5-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine is Cn1nnc(CNCc2ccno2)n1.
What is the InChIKey of N-[(2-methyltetrazol-5-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine?
The InChIKey is PJNRFPCKFOWJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6O/c1-13-11-7(10-12-13)5-8-4-6-2-3-9-14-6/h2-3,8H,4-5H2,1H3.
What are the key properties of N-[(2-methyltetrazol-5-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine?
N-[(2-methyltetrazol-5-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine has a molecular weight of 194.20 g/mol, XLogP of -0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyltetrazol-5-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine is sourced from PubChem (CID 106417467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).