N,N-dimethyl-1-[5-(1-phenyltetrazol-5-yl)tetrazol-1-yl]methanamine

C11H13N9 — CID 139677860

IUPACN,N-dimethyl-1-[5-(1-phenyltetrazol-5-yl)tetrazol-1-yl]methanamine
SMILESCN(C)Cn1nnnc1-c1nnnn1-c1ccccc1
InChIInChI=1S/C11H13N9/c1-18(2)8-19-10(12-14-16-19)11-13-15-17-20(11)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKeyQSMVUHURAIBKEV-UHFFFAOYSA-N
MW271.29 g/mol
LogP-0.17
Rot. Bonds4

About N,N-dimethyl-1-[5-(1-phenyltetrazol-5-yl)tetrazol-1-yl]methanamine

N,N-dimethyl-1-[5-(1-phenyltetrazol-5-yl)tetrazol-1-yl]methanamine (PubChem CID 139677860) has the molecular formula C11H13N9 and a molecular weight of 271.29 g/mol. Its IUPAC name is N,N-dimethyl-1-[5-(1-phenyltetrazol-5-yl)tetrazol-1-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[5-(1-phenyltetrazol-5-yl)tetrazol-1-yl]methanamine
PubChem CID139677860
Molecular FormulaC11H13N9
Molecular Weight271.29 g/mol
Exact Mass271.13
IUPAC NameN,N-dimethyl-1-[5-(1-phenyltetrazol-5-yl)tetrazol-1-yl]methanamine
SMILESCN(C)Cn1nnnc1-c1nnnn1-c1ccccc1
InChIInChI=1S/C11H13N9/c1-18(2)8-19-10(12-14-16-19)11-13-15-17-20(11)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKeyQSMVUHURAIBKEV-UHFFFAOYSA-N
XLogP-0.17
TPSA90.44 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 5-0.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

1-methyl-5-(1-phenyltetrazol-5-yl)tetrazole
CID 57225080
1-phenyl-5-[(1-phenyltetrazol-5-yl)methyl]tetrazole
CID 3090521
N',N'-dimethyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]ethane-1,2-diamine
CID 62578094
N-[[1-(dimethylamino)cycloheptyl]methyl]-1-phenyltetrazol-5-amine
CID 17418964
N-[2-(2-methylphenyl)ethyl]-1-phenyltetrazol-5-amine
CID 9250575
1-[methyl-(1-phenyltetrazol-5-yl)amino]propan-2-ol
CID 62333734
dimethyl-[(1-phenyltetrazol-5-yl)methyl]azanium
CID 7303876
N-[(5-methylthiophen-2-yl)methyl]-1-phenyltetrazol-5-amine
CID 47281703
1,5-diphenyltetrazole;2-methyl-1,3-thiazole
CID 175112675
2-[methyl-(1-phenyltetrazol-5-yl)amino]propanoic acid
CID 62637944
1-N-methyl-1-N-(1-phenyltetrazol-5-yl)propane-1,2-diamine
CID 63760949
1-[methyl-[(1-phenyltetrazol-5-yl)methyl]amino]propan-2-ol
CID 55061276

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[5-(1-phenyltetrazol-5-yl)tetrazol-1-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[5-(1-phenyltetrazol-5-yl)tetrazol-1-yl]methanamine (CID 139677860) is N,N-dimethyl-1-[5-(1-phenyltetrazol-5-yl)tetrazol-1-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[5-(1-phenyltetrazol-5-yl)tetrazol-1-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[5-(1-phenyltetrazol-5-yl)tetrazol-1-yl]methanamine is CN(C)Cn1nnnc1-c1nnnn1-c1ccccc1.
What is the InChIKey of N,N-dimethyl-1-[5-(1-phenyltetrazol-5-yl)tetrazol-1-yl]methanamine?
The InChIKey is QSMVUHURAIBKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N9/c1-18(2)8-19-10(12-14-16-19)11-13-15-17-20(11)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[5-(1-phenyltetrazol-5-yl)tetrazol-1-yl]methanamine?
N,N-dimethyl-1-[5-(1-phenyltetrazol-5-yl)tetrazol-1-yl]methanamine has a molecular weight of 271.29 g/mol, XLogP of -0.17, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[5-(1-phenyltetrazol-5-yl)tetrazol-1-yl]methanamine is sourced from PubChem (CID 139677860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).