2-N-(1-methyltetrazol-5-yl)-2-phenylpropane-1,2-diamine

C11H16N6 — CID 105060698

IUPAC2-N-(1-methyltetrazol-5-yl)-2-phenylpropane-1,2-diamine
SMILESCn1nnnc1NC(C)(CN)c1ccccc1
InChIInChI=1S/C11H16N6/c1-11(8-12,9-6-4-3-5-7-9)13-10-14-15-16-17(10)2/h3-7H,8,12H2,1-2H3,(H,13,14,16)
InChIKeyFUTXTWLIBWDFAV-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.50
Rot. Bonds4

About 2-N-(1-methyltetrazol-5-yl)-2-phenylpropane-1,2-diamine

2-N-(1-methyltetrazol-5-yl)-2-phenylpropane-1,2-diamine (PubChem CID 105060698) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-N-(1-methyltetrazol-5-yl)-2-phenylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(1-methyltetrazol-5-yl)-2-phenylpropane-1,2-diamine
PubChem CID105060698
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC Name2-N-(1-methyltetrazol-5-yl)-2-phenylpropane-1,2-diamine
SMILESCn1nnnc1NC(C)(CN)c1ccccc1
InChIInChI=1S/C11H16N6/c1-11(8-12,9-6-4-3-5-7-9)13-10-14-15-16-17(10)2/h3-7H,8,12H2,1-2H3,(H,13,14,16)
InChIKeyFUTXTWLIBWDFAV-UHFFFAOYSA-N
XLogP0.50
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-phenylpropane-1,2-diamine
CID 105060691
N-[[4-(2-aminoethyl)phenyl]methyl]-1-methyltetrazol-5-amine
CID 63150195
1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]tetrazol-5-amine
CID 61225671
2-[2-[[(1-methyltetrazol-5-yl)amino]methyl]phenyl]acetic acid
CID 81318049
2-[5-(2-phenylpropan-2-yl)tetrazol-1-yl]ethanamine
CID 63084683
N-[(2-chlorophenyl)methyl]-1-methyltetrazol-5-amine
CID 4725595
2-N-(1-methyltetrazol-5-yl)benzene-1,2-diamine
CID 19970907
2-methyl-2-[(1-methyltetrazol-5-yl)amino]butan-1-ol
CID 64557812
2-phenyl-2-N-thieno[3,2-c]pyridin-4-ylpropane-1,2-diamine
CID 105060736
2-phenyl-2-(tetrazolo[1,5-a]pyrazin-5-ylamino)propan-1-ol
CID 105058600
N'-(1-methyltetrazol-5-yl)butane-1,4-diamine
CID 63152546
2-phenyl-2-N-[4-(trifluoromethyl)pyrimidin-2-yl]propane-1,2-diamine
CID 105060701

Frequently Asked Questions

What is the IUPAC name of 2-N-(1-methyltetrazol-5-yl)-2-phenylpropane-1,2-diamine?
The IUPAC name of 2-N-(1-methyltetrazol-5-yl)-2-phenylpropane-1,2-diamine (CID 105060698) is 2-N-(1-methyltetrazol-5-yl)-2-phenylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(1-methyltetrazol-5-yl)-2-phenylpropane-1,2-diamine?
The canonical SMILES for 2-N-(1-methyltetrazol-5-yl)-2-phenylpropane-1,2-diamine is Cn1nnnc1NC(C)(CN)c1ccccc1.
What is the InChIKey of 2-N-(1-methyltetrazol-5-yl)-2-phenylpropane-1,2-diamine?
The InChIKey is FUTXTWLIBWDFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6/c1-11(8-12,9-6-4-3-5-7-9)13-10-14-15-16-17(10)2/h3-7H,8,12H2,1-2H3,(H,13,14,16).
What are the key properties of 2-N-(1-methyltetrazol-5-yl)-2-phenylpropane-1,2-diamine?
2-N-(1-methyltetrazol-5-yl)-2-phenylpropane-1,2-diamine has a molecular weight of 232.29 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-methyltetrazol-5-yl)-2-phenylpropane-1,2-diamine is sourced from PubChem (CID 105060698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).