N-cyclopentyl-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-amine

C13H18N6 — CID 1448315

IUPACN-cyclopentyl-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-amine
SMILESC1CCc2c(nc3nnnn3c2NC2CCCC2)C1
InChIInChI=1S/C13H18N6/c1-2-6-9(5-1)14-12-10-7-3-4-8-11(10)15-13-16-17-18-19(12)13/h9,14H,1-8H2
InChIKeyHDVWKTYIEHQLNX-UHFFFAOYSA-N
MW258.33 g/mol
LogP1.75
Rot. Bonds2

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

N-cyclopentyl-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-amine (PubChem CID 1448315) has the molecular formula C13H18N6 and a molecular weight of 258.33 g/mol. Its IUPAC name is N-cyclopentyl-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-amine.

Molecular Properties

Compound NameN-cyclopentyl-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-amine
PubChem CID1448315
Molecular FormulaC13H18N6
Molecular Weight258.33 g/mol
Exact Mass258.16
IUPAC NameN-cyclopentyl-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-amine
SMILESC1CCc2c(nc3nnnn3c2NC2CCCC2)C1
InChIInChI=1S/C13H18N6/c1-2-6-9(5-1)14-12-10-7-3-4-8-11(10)15-13-16-17-18-19(12)13/h9,14H,1-8H2
InChIKeyHDVWKTYIEHQLNX-UHFFFAOYSA-N
XLogP1.75
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-amine?
The IUPAC name of N-cyclopentyl-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-amine (CID 1448315) is N-cyclopentyl-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-amine.
What is the SMILES notation for N-cyclopentyl-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-amine?
The canonical SMILES for N-cyclopentyl-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-amine is C1CCc2c(nc3nnnn3c2NC2CCCC2)C1.
What is the InChIKey of N-cyclopentyl-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-amine?
The InChIKey is HDVWKTYIEHQLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6/c1-2-6-9(5-1)14-12-10-7-3-4-8-11(10)15-13-16-17-18-19(12)13/h9,14H,1-8H2.
What are the key properties of N-cyclopentyl-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-amine?
N-cyclopentyl-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-amine has a molecular weight of 258.33 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-amine is sourced from PubChem (CID 1448315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).