1-N-methyl-1-N-(1-phenyltetrazol-5-yl)propane-1,2-diamine

C11H16N6 — CID 63760949

IUPAC1-N-methyl-1-N-(1-phenyltetrazol-5-yl)propane-1,2-diamine
SMILESCC(N)CN(C)c1nnnn1-c1ccccc1
InChIInChI=1S/C11H16N6/c1-9(12)8-16(2)11-13-14-15-17(11)10-6-4-3-5-7-10/h3-7,9H,8,12H2,1-2H3
InChIKeySQWRBRLIZCZTBW-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.45
Rot. Bonds4

About 1-N-methyl-1-N-(1-phenyltetrazol-5-yl)propane-1,2-diamine

1-N-methyl-1-N-(1-phenyltetrazol-5-yl)propane-1,2-diamine (PubChem CID 63760949) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is 1-N-methyl-1-N-(1-phenyltetrazol-5-yl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N-(1-phenyltetrazol-5-yl)propane-1,2-diamine
PubChem CID63760949
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC Name1-N-methyl-1-N-(1-phenyltetrazol-5-yl)propane-1,2-diamine
SMILESCC(N)CN(C)c1nnnn1-c1ccccc1
InChIInChI=1S/C11H16N6/c1-9(12)8-16(2)11-13-14-15-17(11)10-6-4-3-5-7-10/h3-7,9H,8,12H2,1-2H3
InChIKeySQWRBRLIZCZTBW-UHFFFAOYSA-N
XLogP0.45
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[methyl-(1-phenyltetrazol-5-yl)amino]propan-2-ol
CID 62333734
2-methyl-3-[methyl-(1-phenyltetrazol-5-yl)amino]propanimidamide
CID 54990530
N'-methyl-N'-(1-phenyltetrazol-5-yl)-N-propan-2-ylethane-1,2-diamine
CID 55090772
N-[(4-bromophenyl)methyl]-N-methyl-1-phenyltetrazol-5-amine
CID 9195075
1-[methyl-[(1-phenyltetrazol-5-yl)methyl]amino]propan-2-ol
CID 55061276
2-[methyl-(1-phenyltetrazol-5-yl)amino]propanoic acid
CID 62637944
N-[(3-chlorophenyl)methyl]-N-methyl-1-phenyltetrazol-5-amine
CID 9195387
N-methyl-1-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)tetrazol-5-amine
CID 56789625
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-phenyltetrazol-5-amine
CID 131949894
N-methyl-3,3-diphenyl-N-(1-phenyltetrazol-5-yl)propanamide
CID 167971120
ethyl 2-[(1-phenyltetrazol-5-yl)-propan-2-ylamino]acetate
CID 62007419
2-[methyl-(1-phenyltetrazol-5-yl)amino]-N-propylacetamide
CID 9195767

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N-(1-phenyltetrazol-5-yl)propane-1,2-diamine?
The IUPAC name of 1-N-methyl-1-N-(1-phenyltetrazol-5-yl)propane-1,2-diamine (CID 63760949) is 1-N-methyl-1-N-(1-phenyltetrazol-5-yl)propane-1,2-diamine.
What is the SMILES notation for 1-N-methyl-1-N-(1-phenyltetrazol-5-yl)propane-1,2-diamine?
The canonical SMILES for 1-N-methyl-1-N-(1-phenyltetrazol-5-yl)propane-1,2-diamine is CC(N)CN(C)c1nnnn1-c1ccccc1.
What is the InChIKey of 1-N-methyl-1-N-(1-phenyltetrazol-5-yl)propane-1,2-diamine?
The InChIKey is SQWRBRLIZCZTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6/c1-9(12)8-16(2)11-13-14-15-17(11)10-6-4-3-5-7-10/h3-7,9H,8,12H2,1-2H3.
What are the key properties of 1-N-methyl-1-N-(1-phenyltetrazol-5-yl)propane-1,2-diamine?
1-N-methyl-1-N-(1-phenyltetrazol-5-yl)propane-1,2-diamine has a molecular weight of 232.29 g/mol, XLogP of 0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N-(1-phenyltetrazol-5-yl)propane-1,2-diamine is sourced from PubChem (CID 63760949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).