2-[4-[(1-cyclopropyltetrazol-5-yl)methyl]-1,4-diazepan-1-yl]ethanol

C12H22N6O — CID 63312298

IUPAC2-[4-[(1-cyclopropyltetrazol-5-yl)methyl]-1,4-diazepan-1-yl]ethanol
SMILESOCCN1CCCN(Cc2nnnn2C2CC2)CC1
InChIInChI=1S/C12H22N6O/c19-9-8-16-4-1-5-17(7-6-16)10-12-13-14-15-18(12)11-2-3-11/h11,19H,1-10H2
InChIKeyYEOPGXDDXHWQCH-UHFFFAOYSA-N
MW266.35 g/mol
LogP-0.49
Rot. Bonds5

About 2-[4-[(1-cyclopropyltetrazol-5-yl)methyl]-1,4-diazepan-1-yl]ethanol

2-[4-[(1-cyclopropyltetrazol-5-yl)methyl]-1,4-diazepan-1-yl]ethanol (PubChem CID 63312298) has the molecular formula C12H22N6O and a molecular weight of 266.35 g/mol. Its IUPAC name is 2-[4-[(1-cyclopropyltetrazol-5-yl)methyl]-1,4-diazepan-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(1-cyclopropyltetrazol-5-yl)methyl]-1,4-diazepan-1-yl]ethanol
PubChem CID63312298
Molecular FormulaC12H22N6O
Molecular Weight266.35 g/mol
Exact Mass266.19
IUPAC Name2-[4-[(1-cyclopropyltetrazol-5-yl)methyl]-1,4-diazepan-1-yl]ethanol
SMILESOCCN1CCCN(Cc2nnnn2C2CC2)CC1
InChIInChI=1S/C12H22N6O/c19-9-8-16-4-1-5-17(7-6-16)10-12-13-14-15-18(12)11-2-3-11/h11,19H,1-10H2
InChIKeyYEOPGXDDXHWQCH-UHFFFAOYSA-N
XLogP-0.49
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-[(1-cyclopropyltetrazol-5-yl)methyl]-1,4-diazepan-1-yl]ethanol 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

1-[(1-cyclopropyltetrazol-5-yl)methyl]azocane
CID 47022227
1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-methylpiperazine
CID 858492
2-[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 37268796
(2-chlorophenyl)-[4-[(1-cyclopropyltetrazol-5-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 47529934
1,4-bis[(1-cyclopropyltetrazol-5-yl)methyl]-2-methylpiperazine
CID 60565467
cyclopropyl-[2-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]azepan-1-yl]methanone
CID 56804519
4-[[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]methyl]benzonitrile
CID 43052578
1-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]-3-methylimidazolidin-2-one
CID 56780089
2-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanol
CID 55205984
2-[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]-1,3-thiazole
CID 37258852
4-[[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]methyl]morpholine
CID 47053718
2-[[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-3-yl]methylamino]acetic acid
CID 106813786

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-cyclopropyltetrazol-5-yl)methyl]-1,4-diazepan-1-yl]ethanol?
The IUPAC name of 2-[4-[(1-cyclopropyltetrazol-5-yl)methyl]-1,4-diazepan-1-yl]ethanol (CID 63312298) is 2-[4-[(1-cyclopropyltetrazol-5-yl)methyl]-1,4-diazepan-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(1-cyclopropyltetrazol-5-yl)methyl]-1,4-diazepan-1-yl]ethanol?
The canonical SMILES for 2-[4-[(1-cyclopropyltetrazol-5-yl)methyl]-1,4-diazepan-1-yl]ethanol is OCCN1CCCN(Cc2nnnn2C2CC2)CC1.
What is the InChIKey of 2-[4-[(1-cyclopropyltetrazol-5-yl)methyl]-1,4-diazepan-1-yl]ethanol?
The InChIKey is YEOPGXDDXHWQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O/c19-9-8-16-4-1-5-17(7-6-16)10-12-13-14-15-18(12)11-2-3-11/h11,19H,1-10H2.
What are the key properties of 2-[4-[(1-cyclopropyltetrazol-5-yl)methyl]-1,4-diazepan-1-yl]ethanol?
2-[4-[(1-cyclopropyltetrazol-5-yl)methyl]-1,4-diazepan-1-yl]ethanol has a molecular weight of 266.35 g/mol, XLogP of -0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-cyclopropyltetrazol-5-yl)methyl]-1,4-diazepan-1-yl]ethanol is sourced from PubChem (CID 63312298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).