2-[(1-cyclopropyltetrazol-5-yl)methyl-prop-2-enylamino]ethanol

C10H17N5O — CID 111423138

IUPAC2-[(1-cyclopropyltetrazol-5-yl)methyl-prop-2-enylamino]ethanol
SMILESC=CCN(CCO)Cc1nnnn1C1CC1
InChIInChI=1S/C10H17N5O/c1-2-5-14(6-7-16)8-10-11-12-13-15(10)9-3-4-9/h2,9,16H,1,3-8H2
InChIKeyDUNAXNKPFVZGOG-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.01
Rot. Bonds7

About 2-[(1-cyclopropyltetrazol-5-yl)methyl-prop-2-enylamino]ethanol

2-[(1-cyclopropyltetrazol-5-yl)methyl-prop-2-enylamino]ethanol (PubChem CID 111423138) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-[(1-cyclopropyltetrazol-5-yl)methyl-prop-2-enylamino]ethanol.

Molecular Properties

Compound Name2-[(1-cyclopropyltetrazol-5-yl)methyl-prop-2-enylamino]ethanol
PubChem CID111423138
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name2-[(1-cyclopropyltetrazol-5-yl)methyl-prop-2-enylamino]ethanol
SMILESC=CCN(CCO)Cc1nnnn1C1CC1
InChIInChI=1S/C10H17N5O/c1-2-5-14(6-7-16)8-10-11-12-13-15(10)9-3-4-9/h2,9,16H,1,3-8H2
InChIKeyDUNAXNKPFVZGOG-UHFFFAOYSA-N
XLogP-0.01
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[(1-cyclopropyltetrazol-5-yl)methyl-prop-2-enylamino]ethanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclopropyltetrazol-5-yl)methyl-prop-2-enylamino]ethanol?
The IUPAC name of 2-[(1-cyclopropyltetrazol-5-yl)methyl-prop-2-enylamino]ethanol (CID 111423138) is 2-[(1-cyclopropyltetrazol-5-yl)methyl-prop-2-enylamino]ethanol.
What is the SMILES notation for 2-[(1-cyclopropyltetrazol-5-yl)methyl-prop-2-enylamino]ethanol?
The canonical SMILES for 2-[(1-cyclopropyltetrazol-5-yl)methyl-prop-2-enylamino]ethanol is C=CCN(CCO)Cc1nnnn1C1CC1.
What is the InChIKey of 2-[(1-cyclopropyltetrazol-5-yl)methyl-prop-2-enylamino]ethanol?
The InChIKey is DUNAXNKPFVZGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-2-5-14(6-7-16)8-10-11-12-13-15(10)9-3-4-9/h2,9,16H,1,3-8H2.
What are the key properties of 2-[(1-cyclopropyltetrazol-5-yl)methyl-prop-2-enylamino]ethanol?
2-[(1-cyclopropyltetrazol-5-yl)methyl-prop-2-enylamino]ethanol has a molecular weight of 223.28 g/mol, XLogP of -0.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclopropyltetrazol-5-yl)methyl-prop-2-enylamino]ethanol is sourced from PubChem (CID 111423138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).