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

C12H17N5O — CID 55061276

IUPAC1-[methyl-[(1-phenyltetrazol-5-yl)methyl]amino]propan-2-ol
SMILESCC(O)CN(C)Cc1nnnn1-c1ccccc1
InChIInChI=1S/C12H17N5O/c1-10(18)8-16(2)9-12-13-14-15-17(12)11-6-4-3-5-7-11/h3-7,10,18H,8-9H2,1-2H3
InChIKeyCDFZUIXYGMHTOJ-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.47
Rot. Bonds5

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

1-[methyl-[(1-phenyltetrazol-5-yl)methyl]amino]propan-2-ol (PubChem CID 55061276) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-[methyl-[(1-phenyltetrazol-5-yl)methyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[methyl-[(1-phenyltetrazol-5-yl)methyl]amino]propan-2-ol
PubChem CID55061276
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name1-[methyl-[(1-phenyltetrazol-5-yl)methyl]amino]propan-2-ol
SMILESCC(O)CN(C)Cc1nnnn1-c1ccccc1
InChIInChI=1S/C12H17N5O/c1-10(18)8-16(2)9-12-13-14-15-17(12)11-6-4-3-5-7-11/h3-7,10,18H,8-9H2,1-2H3
InChIKeyCDFZUIXYGMHTOJ-UHFFFAOYSA-N
XLogP0.47
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[methyl-[(1-phenyltetrazol-5-yl)methyl]amino]butan-2-ol
CID 115665700
(2R)-1-[N-[(1-phenyltetrazol-5-yl)methyl]anilino]propan-2-ol
CID 94824316
1-[methyl-(1-phenyltetrazol-5-yl)amino]propan-2-ol
CID 62333734
N-methyl-1-(4-methylsulfanylphenyl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
CID 26625051
1-(3-fluorophenyl)-N-methyl-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
CID 18088026
5-(2-bromopropyl)-1-phenyltetrazole
CID 63203207
1-phenyl-5-[(1-phenyltetrazol-5-yl)methyl]tetrazole
CID 3090521
4-methyl-3-[(1-phenyltetrazol-5-yl)methyl]pentan-2-one
CID 79417789
1-[propan-2-yl-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]amino]propan-2-ol
CID 111108025
1-N-methyl-1-N-(1-phenyltetrazol-5-yl)propane-1,2-diamine
CID 63760949
2-[tert-butyl-[(1-phenyltetrazol-5-yl)methyl]amino]acetic acid
CID 79263009
N-methyl-N-[(1-phenyltetrazol-5-yl)methyl]-1-pyridin-4-ylpropan-1-amine
CID 75435403

Frequently Asked Questions

What is the IUPAC name of 1-[methyl-[(1-phenyltetrazol-5-yl)methyl]amino]propan-2-ol?
The IUPAC name of 1-[methyl-[(1-phenyltetrazol-5-yl)methyl]amino]propan-2-ol (CID 55061276) is 1-[methyl-[(1-phenyltetrazol-5-yl)methyl]amino]propan-2-ol.
What is the SMILES notation for 1-[methyl-[(1-phenyltetrazol-5-yl)methyl]amino]propan-2-ol?
The canonical SMILES for 1-[methyl-[(1-phenyltetrazol-5-yl)methyl]amino]propan-2-ol is CC(O)CN(C)Cc1nnnn1-c1ccccc1.
What is the InChIKey of 1-[methyl-[(1-phenyltetrazol-5-yl)methyl]amino]propan-2-ol?
The InChIKey is CDFZUIXYGMHTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-10(18)8-16(2)9-12-13-14-15-17(12)11-6-4-3-5-7-11/h3-7,10,18H,8-9H2,1-2H3.
What are the key properties of 1-[methyl-[(1-phenyltetrazol-5-yl)methyl]amino]propan-2-ol?
1-[methyl-[(1-phenyltetrazol-5-yl)methyl]amino]propan-2-ol has a molecular weight of 247.30 g/mol, XLogP of 0.47, 5 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)methyl]amino]propan-2-ol is sourced from PubChem (CID 55061276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).