9-piperidin-1-yl-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazoline

C13H18N6 — CID 1448314

IUPAC9-piperidin-1-yl-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazoline
SMILESC1CCN(c2c3c(nc4nnnn24)CCCC3)CC1
InChIInChI=1S/C13H18N6/c1-4-8-18(9-5-1)12-10-6-2-3-7-11(10)14-13-15-16-17-19(12)13/h1-9H2
InChIKeyJIFHOIDCACPKML-UHFFFAOYSA-N
MW258.33 g/mol
LogP1.39
Rot. Bonds1

About 9-piperidin-1-yl-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazoline

9-piperidin-1-yl-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazoline (PubChem CID 1448314) has the molecular formula C13H18N6 and a molecular weight of 258.33 g/mol. Its IUPAC name is 9-piperidin-1-yl-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazoline.

Molecular Properties

Compound Name9-piperidin-1-yl-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazoline
PubChem CID1448314
Molecular FormulaC13H18N6
Molecular Weight258.33 g/mol
Exact Mass258.16
IUPAC Name9-piperidin-1-yl-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazoline
SMILESC1CCN(c2c3c(nc4nnnn24)CCCC3)CC1
InChIInChI=1S/C13H18N6/c1-4-8-18(9-5-1)12-10-6-2-3-7-11(10)14-13-15-16-17-19(12)13/h1-9H2
InChIKeyJIFHOIDCACPKML-UHFFFAOYSA-N
XLogP1.39
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-piperidin-1-yl-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazoline?
The IUPAC name of 9-piperidin-1-yl-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazoline (CID 1448314) is 9-piperidin-1-yl-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazoline.
What is the SMILES notation for 9-piperidin-1-yl-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazoline?
The canonical SMILES for 9-piperidin-1-yl-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazoline is C1CCN(c2c3c(nc4nnnn24)CCCC3)CC1.
What is the InChIKey of 9-piperidin-1-yl-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazoline?
The InChIKey is JIFHOIDCACPKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6/c1-4-8-18(9-5-1)12-10-6-2-3-7-11(10)14-13-15-16-17-19(12)13/h1-9H2.
What are the key properties of 9-piperidin-1-yl-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazoline?
9-piperidin-1-yl-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazoline has a molecular weight of 258.33 g/mol, XLogP of 1.39, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-piperidin-1-yl-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazoline is sourced from PubChem (CID 1448314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).