N-(cyclohexylmethyl)-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-amine

C15H22N6 — CID 644732

IUPACN-(cyclohexylmethyl)-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-amine
SMILESC1CCC(CNc2c3c(nc4nnnn24)CCCC3)CC1
InChIInChI=1S/C15H22N6/c1-2-6-11(7-3-1)10-16-14-12-8-4-5-9-13(12)17-15-18-19-20-21(14)15/h11,16H,1-10H2
InChIKeyGSSZIRDJOKLGGZ-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.39
Rot. Bonds3

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

N-(cyclohexylmethyl)-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-amine (PubChem CID 644732) has the molecular formula C15H22N6 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-amine
PubChem CID644732
Molecular FormulaC15H22N6
Molecular Weight286.38 g/mol
Exact Mass286.19
IUPAC NameN-(cyclohexylmethyl)-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-amine
SMILESC1CCC(CNc2c3c(nc4nnnn24)CCCC3)CC1
InChIInChI=1S/C15H22N6/c1-2-6-11(7-3-1)10-16-14-12-8-4-5-9-13(12)17-15-18-19-20-21(14)15/h11,16H,1-10H2
InChIKeyGSSZIRDJOKLGGZ-UHFFFAOYSA-N
XLogP2.39
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-amine?
The IUPAC name of N-(cyclohexylmethyl)-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-amine (CID 644732) is N-(cyclohexylmethyl)-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-amine?
The canonical SMILES for N-(cyclohexylmethyl)-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-amine is C1CCC(CNc2c3c(nc4nnnn24)CCCC3)CC1.
What is the InChIKey of N-(cyclohexylmethyl)-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-amine?
The InChIKey is GSSZIRDJOKLGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6/c1-2-6-11(7-3-1)10-16-14-12-8-4-5-9-13(12)17-15-18-19-20-21(14)15/h11,16H,1-10H2.
What are the key properties of N-(cyclohexylmethyl)-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-amine?
N-(cyclohexylmethyl)-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-amine has a molecular weight of 286.38 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-amine is sourced from PubChem (CID 644732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).