N',N'-dimethyl-N-(5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-yl)ethane-1,2-diamine

C12H19N7 — CID 6484060

IUPACN',N'-dimethyl-N-(5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-yl)ethane-1,2-diamine
SMILESCN(C)CCNc1c2c(nc3nnnn13)CCCC2
InChIInChI=1S/C12H19N7/c1-18(2)8-7-13-11-9-5-3-4-6-10(9)14-12-15-16-17-19(11)12/h13H,3-8H2,1-2H3
InChIKeyWNSXABXAZGZTES-UHFFFAOYSA-N
MW261.33 g/mol
LogP0.37
Rot. Bonds4

About N',N'-dimethyl-N-(5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-yl)ethane-1,2-diamine

N',N'-dimethyl-N-(5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-yl)ethane-1,2-diamine (PubChem CID 6484060) has the molecular formula C12H19N7 and a molecular weight of 261.33 g/mol. Its IUPAC name is N',N'-dimethyl-N-(5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-yl)ethane-1,2-diamine
PubChem CID6484060
Molecular FormulaC12H19N7
Molecular Weight261.33 g/mol
Exact Mass261.17
IUPAC NameN',N'-dimethyl-N-(5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-yl)ethane-1,2-diamine
SMILESCN(C)CCNc1c2c(nc3nnnn13)CCCC2
InChIInChI=1S/C12H19N7/c1-18(2)8-7-13-11-9-5-3-4-6-10(9)14-12-15-16-17-19(11)12/h13H,3-8H2,1-2H3
InChIKeyWNSXABXAZGZTES-UHFFFAOYSA-N
XLogP0.37
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-yl)ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-(5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-yl)ethane-1,2-diamine (CID 6484060) is N',N'-dimethyl-N-(5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-yl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-yl)ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-(5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-yl)ethane-1,2-diamine is CN(C)CCNc1c2c(nc3nnnn13)CCCC2.
What is the InChIKey of N',N'-dimethyl-N-(5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-yl)ethane-1,2-diamine?
The InChIKey is WNSXABXAZGZTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N7/c1-18(2)8-7-13-11-9-5-3-4-6-10(9)14-12-15-16-17-19(11)12/h13H,3-8H2,1-2H3.
What are the key properties of N',N'-dimethyl-N-(5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-yl)ethane-1,2-diamine?
N',N'-dimethyl-N-(5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-yl)ethane-1,2-diamine has a molecular weight of 261.33 g/mol, XLogP of 0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-yl)ethane-1,2-diamine is sourced from PubChem (CID 6484060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).