1-methyl-5-[nitroso(phenyl)methyl]tetrazole

C9H9N5O — CID 91094725

IUPAC1-methyl-5-[nitroso(phenyl)methyl]tetrazole
SMILESCn1nnnc1C(N=O)c1ccccc1
InChIInChI=1S/C9H9N5O/c1-14-9(10-12-13-14)8(11-15)7-5-3-2-4-6-7/h2-6,8H,1H3
InChIKeyMPVJDJSCLDTKAJ-UHFFFAOYSA-N
MW203.21 g/mol
LogP1.07
Rot. Bonds3

About 1-methyl-5-[nitroso(phenyl)methyl]tetrazole

1-methyl-5-[nitroso(phenyl)methyl]tetrazole (PubChem CID 91094725) has the molecular formula C9H9N5O and a molecular weight of 203.21 g/mol. Its IUPAC name is 1-methyl-5-[nitroso(phenyl)methyl]tetrazole.

Molecular Properties

Compound Name1-methyl-5-[nitroso(phenyl)methyl]tetrazole
PubChem CID91094725
Molecular FormulaC9H9N5O
Molecular Weight203.21 g/mol
Exact Mass203.08
IUPAC Name1-methyl-5-[nitroso(phenyl)methyl]tetrazole
SMILESCn1nnnc1C(N=O)c1ccccc1
InChIInChI=1S/C9H9N5O/c1-14-9(10-12-13-14)8(11-15)7-5-3-2-4-6-7/h2-6,8H,1H3
InChIKeyMPVJDJSCLDTKAJ-UHFFFAOYSA-N
XLogP1.07
TPSA73.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1,4-bis[nitroso(phenyl)methyl]benzene
CID 54419533
2-(1-methyltetrazol-5-yl)-2-phenoxy-1-phenylethanol
CID 10266568
tert-butyl 4-[(R)-(1-methyltetrazol-5-yl)-phenylmethyl]piperazine-1-carboxylate
CID 126455554
N-[(6-amino-2-pyridinyl)methyl]-2-(1-methyltetrazol-5-yl)-2-phenylacetamide
CID 121272893
N-[1-[1-(1-phenylpropyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103085558
1-benzhydryl-5-(1-chloroethyl)tetrazole
CID 103084363
3-(2-methoxyphenyl)-2-(1-methyltetrazol-5-yl)propanoic acid
CID 104572862
1-(1-methyltetrazol-5-yl)ethanamine
CID 75355753
(1R)-1-(1-methyltetrazol-5-yl)ethanol
CID 93497611
1-(5-benzhydryltetrazol-1-yl)-2,2-dimethylpropan-1-one
CID 122205753
3-(1-methyltetrazol-5-yl)sulfanylchromen-2-one
CID 134065334
[(S)-(1-benzhydryltetrazol-5-yl)-phenylmethyl]-dimethylazanium
CID 7154844

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[nitroso(phenyl)methyl]tetrazole?
The IUPAC name of 1-methyl-5-[nitroso(phenyl)methyl]tetrazole (CID 91094725) is 1-methyl-5-[nitroso(phenyl)methyl]tetrazole.
What is the SMILES notation for 1-methyl-5-[nitroso(phenyl)methyl]tetrazole?
The canonical SMILES for 1-methyl-5-[nitroso(phenyl)methyl]tetrazole is Cn1nnnc1C(N=O)c1ccccc1.
What is the InChIKey of 1-methyl-5-[nitroso(phenyl)methyl]tetrazole?
The InChIKey is MPVJDJSCLDTKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O/c1-14-9(10-12-13-14)8(11-15)7-5-3-2-4-6-7/h2-6,8H,1H3.
What are the key properties of 1-methyl-5-[nitroso(phenyl)methyl]tetrazole?
1-methyl-5-[nitroso(phenyl)methyl]tetrazole has a molecular weight of 203.21 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[nitroso(phenyl)methyl]tetrazole is sourced from PubChem (CID 91094725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).