2-[(2-methyltetrazol-5-yl)methyl-prop-2-enylamino]ethanol

C8H15N5O — CID 107052585

IUPAC2-[(2-methyltetrazol-5-yl)methyl-prop-2-enylamino]ethanol
SMILESC=CCN(CCO)Cc1nnn(C)n1
InChIInChI=1S/C8H15N5O/c1-3-4-13(5-6-14)7-8-9-11-12(2)10-8/h3,14H,1,4-7H2,2H3
InChIKeyCKSNODZSGMPDAR-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.81
Rot. Bonds6

About 2-[(2-methyltetrazol-5-yl)methyl-prop-2-enylamino]ethanol

2-[(2-methyltetrazol-5-yl)methyl-prop-2-enylamino]ethanol (PubChem CID 107052585) has the molecular formula C8H15N5O and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-[(2-methyltetrazol-5-yl)methyl-prop-2-enylamino]ethanol.

Molecular Properties

Compound Name2-[(2-methyltetrazol-5-yl)methyl-prop-2-enylamino]ethanol
PubChem CID107052585
Molecular FormulaC8H15N5O
Molecular Weight197.24 g/mol
Exact Mass197.13
IUPAC Name2-[(2-methyltetrazol-5-yl)methyl-prop-2-enylamino]ethanol
SMILESC=CCN(CCO)Cc1nnn(C)n1
InChIInChI=1S/C8H15N5O/c1-3-4-13(5-6-14)7-8-9-11-12(2)10-8/h3,14H,1,4-7H2,2H3
InChIKeyCKSNODZSGMPDAR-UHFFFAOYSA-N
XLogP-0.81
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[methyl-[(2-methyltetrazol-5-yl)methyl]amino]ethanol
CID 107052530
2-[cyclopentyl-[(2-methyltetrazol-5-yl)methyl]amino]ethanol
CID 107052538
2-[(2,5-dichloro-3-methylimidazol-4-yl)methyl-prop-2-enylamino]ethanol
CID 115883240
2-[(1-cyclopropyltetrazol-5-yl)methyl-prop-2-enylamino]ethanol
CID 111423138
2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-prop-2-enylamino]ethanol
CID 115631711
2-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]-6-methylpyridin-3-ol
CID 115883207
2-[(2-methylphenyl)methyl-prop-2-enylamino]ethanol
CID 111423251
2-[2-[bis(prop-2-enyl)amino]ethyl-methylamino]ethanol
CID 87572084
N,N-dimethyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 910865
2-[(4-propan-2-ylphenyl)methyl-prop-2-enylamino]ethanol
CID 115631692
N-tert-butyl-N'-methyl-N'-[(2-methyltetrazol-5-yl)methyl]ethane-1,2-diamine
CID 107043617
4-[[(2-methyltetrazol-5-yl)methyl-propylamino]methyl]aniline
CID 107043654

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyltetrazol-5-yl)methyl-prop-2-enylamino]ethanol?
The IUPAC name of 2-[(2-methyltetrazol-5-yl)methyl-prop-2-enylamino]ethanol (CID 107052585) is 2-[(2-methyltetrazol-5-yl)methyl-prop-2-enylamino]ethanol.
What is the SMILES notation for 2-[(2-methyltetrazol-5-yl)methyl-prop-2-enylamino]ethanol?
The canonical SMILES for 2-[(2-methyltetrazol-5-yl)methyl-prop-2-enylamino]ethanol is C=CCN(CCO)Cc1nnn(C)n1.
What is the InChIKey of 2-[(2-methyltetrazol-5-yl)methyl-prop-2-enylamino]ethanol?
The InChIKey is CKSNODZSGMPDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O/c1-3-4-13(5-6-14)7-8-9-11-12(2)10-8/h3,14H,1,4-7H2,2H3.
What are the key properties of 2-[(2-methyltetrazol-5-yl)methyl-prop-2-enylamino]ethanol?
2-[(2-methyltetrazol-5-yl)methyl-prop-2-enylamino]ethanol has a molecular weight of 197.24 g/mol, XLogP of -0.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyltetrazol-5-yl)methyl-prop-2-enylamino]ethanol is sourced from PubChem (CID 107052585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).