1-[N-[(1-cyclopropyltetrazol-5-yl)methyl]anilino]butan-2-ol

C15H21N5O — CID 110919036

IUPAC1-[N-[(1-cyclopropyltetrazol-5-yl)methyl]anilino]butan-2-ol
SMILESCCC(O)CN(Cc1nnnn1C1CC1)c1ccccc1
InChIInChI=1S/C15H21N5O/c1-2-14(21)10-19(12-6-4-3-5-7-12)11-15-16-17-18-20(15)13-8-9-13/h3-7,13-14,21H,2,8-11H2,1H3
InChIKeyOQSVALBUFAJCNR-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.79
Rot. Bonds7

About 1-[N-[(1-cyclopropyltetrazol-5-yl)methyl]anilino]butan-2-ol

1-[N-[(1-cyclopropyltetrazol-5-yl)methyl]anilino]butan-2-ol (PubChem CID 110919036) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 1-[N-[(1-cyclopropyltetrazol-5-yl)methyl]anilino]butan-2-ol.

Molecular Properties

Compound Name1-[N-[(1-cyclopropyltetrazol-5-yl)methyl]anilino]butan-2-ol
PubChem CID110919036
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name1-[N-[(1-cyclopropyltetrazol-5-yl)methyl]anilino]butan-2-ol
SMILESCCC(O)CN(Cc1nnnn1C1CC1)c1ccccc1
InChIInChI=1S/C15H21N5O/c1-2-14(21)10-19(12-6-4-3-5-7-12)11-15-16-17-18-20(15)13-8-9-13/h3-7,13-14,21H,2,8-11H2,1H3
InChIKeyOQSVALBUFAJCNR-UHFFFAOYSA-N
XLogP1.79
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[N-[(1-cyclopropyltetrazol-5-yl)methyl]anilino]butan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-ethyl-2-methylaniline
CID 86827304
N-benzyl-N-[(1-cyclopropyltetrazol-5-yl)methyl]-1-phenylmethanamine
CID 86922330
3-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]-3-phenylpropan-1-ol
CID 111489168
(2R)-1-[N-[(1-phenyltetrazol-5-yl)methyl]anilino]propan-2-ol
CID 94824316
N-benzyl-N-[(1-cyclopropyltetrazol-5-yl)methyl]-2-phenylethanamine
CID 86931382
1-[N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]anilino]butan-2-ol
CID 111462724
1-[N-[(2-chloro-3-pyridinyl)methyl]anilino]butan-2-ol
CID 110924047
1-(N-butylanilino)butan-2-ol
CID 63102235
N-[(1-cyclopropyltetrazol-5-yl)methyl]-N,4-dimethylcyclohexan-1-amine
CID 86989057
N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methyl-1-(4-methylphenyl)methanamine
CID 86922257
1-benzhydryl-4-[(1-cyclopentyltetrazol-5-yl)methyl]piperazine-1,4-diium
CID 7221369
N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methylazetidin-3-amine
CID 66187611

Frequently Asked Questions

What is the IUPAC name of 1-[N-[(1-cyclopropyltetrazol-5-yl)methyl]anilino]butan-2-ol?
The IUPAC name of 1-[N-[(1-cyclopropyltetrazol-5-yl)methyl]anilino]butan-2-ol (CID 110919036) is 1-[N-[(1-cyclopropyltetrazol-5-yl)methyl]anilino]butan-2-ol.
What is the SMILES notation for 1-[N-[(1-cyclopropyltetrazol-5-yl)methyl]anilino]butan-2-ol?
The canonical SMILES for 1-[N-[(1-cyclopropyltetrazol-5-yl)methyl]anilino]butan-2-ol is CCC(O)CN(Cc1nnnn1C1CC1)c1ccccc1.
What is the InChIKey of 1-[N-[(1-cyclopropyltetrazol-5-yl)methyl]anilino]butan-2-ol?
The InChIKey is OQSVALBUFAJCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-2-14(21)10-19(12-6-4-3-5-7-12)11-15-16-17-18-20(15)13-8-9-13/h3-7,13-14,21H,2,8-11H2,1H3.
What are the key properties of 1-[N-[(1-cyclopropyltetrazol-5-yl)methyl]anilino]butan-2-ol?
1-[N-[(1-cyclopropyltetrazol-5-yl)methyl]anilino]butan-2-ol has a molecular weight of 287.37 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[N-[(1-cyclopropyltetrazol-5-yl)methyl]anilino]butan-2-ol is sourced from PubChem (CID 110919036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).