N-prop-2-enyl-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-amine

C11H14N6 — CID 3231396

IUPACN-prop-2-enyl-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-amine
SMILESC=CCNc1c2c(nc3nnnn13)CCCC2
InChIInChI=1S/C11H14N6/c1-2-7-12-10-8-5-3-4-6-9(8)13-11-14-15-16-17(10)11/h2,12H,1,3-7H2
InChIKeyZSGBOAMRFOYKHN-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.00
Rot. Bonds3

About N-prop-2-enyl-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-amine

N-prop-2-enyl-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-amine (PubChem CID 3231396) has the molecular formula C11H14N6 and a molecular weight of 230.27 g/mol. Its IUPAC name is N-prop-2-enyl-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-amine.

Molecular Properties

Compound NameN-prop-2-enyl-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-amine
PubChem CID3231396
Molecular FormulaC11H14N6
Molecular Weight230.27 g/mol
Exact Mass230.13
IUPAC NameN-prop-2-enyl-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-amine
SMILESC=CCNc1c2c(nc3nnnn13)CCCC2
InChIInChI=1S/C11H14N6/c1-2-7-12-10-8-5-3-4-6-9(8)13-11-14-15-16-17(10)11/h2,12H,1,3-7H2
InChIKeyZSGBOAMRFOYKHN-UHFFFAOYSA-N
XLogP1.00
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-amine?
The IUPAC name of N-prop-2-enyl-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-amine (CID 3231396) is N-prop-2-enyl-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-amine.
What is the SMILES notation for N-prop-2-enyl-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-amine?
The canonical SMILES for N-prop-2-enyl-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-amine is C=CCNc1c2c(nc3nnnn13)CCCC2.
What is the InChIKey of N-prop-2-enyl-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-amine?
The InChIKey is ZSGBOAMRFOYKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6/c1-2-7-12-10-8-5-3-4-6-9(8)13-11-14-15-16-17(10)11/h2,12H,1,3-7H2.
What are the key properties of N-prop-2-enyl-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-amine?
N-prop-2-enyl-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-amine has a molecular weight of 230.27 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-amine is sourced from PubChem (CID 3231396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).