1-[methyl-(1-phenyltetrazol-5-yl)amino]propan-2-ol

C11H15N5O — CID 62333734

IUPAC1-[methyl-(1-phenyltetrazol-5-yl)amino]propan-2-ol
SMILESCC(O)CN(C)c1nnnn1-c1ccccc1
InChIInChI=1S/C11H15N5O/c1-9(17)8-15(2)11-12-13-14-16(11)10-6-4-3-5-7-10/h3-7,9,17H,8H2,1-2H3
InChIKeyOBTJYUUMWGTIOD-UHFFFAOYSA-N
MW233.28 g/mol
LogP0.48
Rot. Bonds4

About 1-[methyl-(1-phenyltetrazol-5-yl)amino]propan-2-ol

1-[methyl-(1-phenyltetrazol-5-yl)amino]propan-2-ol (PubChem CID 62333734) has the molecular formula C11H15N5O and a molecular weight of 233.28 g/mol. Its IUPAC name is 1-[methyl-(1-phenyltetrazol-5-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[methyl-(1-phenyltetrazol-5-yl)amino]propan-2-ol
PubChem CID62333734
Molecular FormulaC11H15N5O
Molecular Weight233.28 g/mol
Exact Mass233.13
IUPAC Name1-[methyl-(1-phenyltetrazol-5-yl)amino]propan-2-ol
SMILESCC(O)CN(C)c1nnnn1-c1ccccc1
InChIInChI=1S/C11H15N5O/c1-9(17)8-15(2)11-12-13-14-16(11)10-6-4-3-5-7-10/h3-7,9,17H,8H2,1-2H3
InChIKeyOBTJYUUMWGTIOD-UHFFFAOYSA-N
XLogP0.48
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-N-methyl-1-N-(1-phenyltetrazol-5-yl)propane-1,2-diamine
CID 63760949
2-methyl-3-[methyl-(1-phenyltetrazol-5-yl)amino]propanimidamide
CID 54990530
1-[methyl-[(1-phenyltetrazol-5-yl)methyl]amino]propan-2-ol
CID 55061276
N'-methyl-N'-(1-phenyltetrazol-5-yl)-N-propan-2-ylethane-1,2-diamine
CID 55090772
2-[methyl-(1-phenyltetrazol-5-yl)amino]propanoic acid
CID 62637944
N-[(4-bromophenyl)methyl]-N-methyl-1-phenyltetrazol-5-amine
CID 9195075
(2R)-1-[N-[(1-phenyltetrazol-5-yl)methyl]anilino]propan-2-ol
CID 94824316
4-[methyl-[(1-phenyltetrazol-5-yl)methyl]amino]butan-2-ol
CID 115665700
N-methyl-3,3-diphenyl-N-(1-phenyltetrazol-5-yl)propanamide
CID 167971120
2-[methyl-(1-phenyltetrazol-5-yl)amino]-N-propylacetamide
CID 9195767
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

Frequently Asked Questions

What is the IUPAC name of 1-[methyl-(1-phenyltetrazol-5-yl)amino]propan-2-ol?
The IUPAC name of 1-[methyl-(1-phenyltetrazol-5-yl)amino]propan-2-ol (CID 62333734) is 1-[methyl-(1-phenyltetrazol-5-yl)amino]propan-2-ol.
What is the SMILES notation for 1-[methyl-(1-phenyltetrazol-5-yl)amino]propan-2-ol?
The canonical SMILES for 1-[methyl-(1-phenyltetrazol-5-yl)amino]propan-2-ol is CC(O)CN(C)c1nnnn1-c1ccccc1.
What is the InChIKey of 1-[methyl-(1-phenyltetrazol-5-yl)amino]propan-2-ol?
The InChIKey is OBTJYUUMWGTIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-9(17)8-15(2)11-12-13-14-16(11)10-6-4-3-5-7-10/h3-7,9,17H,8H2,1-2H3.
What are the key properties of 1-[methyl-(1-phenyltetrazol-5-yl)amino]propan-2-ol?
1-[methyl-(1-phenyltetrazol-5-yl)amino]propan-2-ol has a molecular weight of 233.28 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-(1-phenyltetrazol-5-yl)amino]propan-2-ol is sourced from PubChem (CID 62333734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).