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

C12H16N6 — CID 1448318

IUPACN-(cyclopropylmethyl)-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-amine
SMILESC1CCc2c(nc3nnnn3c2NCC2CC2)C1
InChIInChI=1S/C12H16N6/c1-2-4-10-9(3-1)11(13-7-8-5-6-8)18-12(14-10)15-16-17-18/h8,13H,1-7H2
InChIKeyWLJURVSJIMWVTI-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.22
Rot. Bonds3

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

N-(cyclopropylmethyl)-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-amine (PubChem CID 1448318) has the molecular formula C12H16N6 and a molecular weight of 244.30 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-amine
PubChem CID1448318
Molecular FormulaC12H16N6
Molecular Weight244.30 g/mol
Exact Mass244.14
IUPAC NameN-(cyclopropylmethyl)-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-amine
SMILESC1CCc2c(nc3nnnn3c2NCC2CC2)C1
InChIInChI=1S/C12H16N6/c1-2-4-10-9(3-1)11(13-7-8-5-6-8)18-12(14-10)15-16-17-18/h8,13H,1-7H2
InChIKeyWLJURVSJIMWVTI-UHFFFAOYSA-N
XLogP1.22
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

9-Piperazin-1-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline
CID 1448285
9-Methyl-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazoline
CID 1481962
N',N'-dimethyl-N-(6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)ethane-1,2-diamine;hydrochloride
CID 16192918
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinazolin-2-amine
CID 24992735
Cyclopentyl-(5,6,7,8-tetrahydro-1,2,3,3a,9-pentaaza-cyclopenta[b]naphthalen-4-yl)-amine
CID 1448315
N-(3-methoxypropyl)-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-amine
CID 3231392
N-prop-2-ynyl-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-amine
CID 3231395
6-methyl-N-prop-2-enyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine
CID 3231155
6-methyl-N-prop-2-ynyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine
CID 3231156
N-(Prop-2-EN-1-YL)-5H,6H,7H,8H-[1,2,3,4]tetrazolo[5,1-B]quinazolin-9-amine
CID 3231396
N',N'-dimethyl-N-(5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-yl)ethane-1,2-diamine
CID 6484060
N-(cyclohexylmethyl)-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-amine
CID 644732

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-amine?
The IUPAC name of N-(cyclopropylmethyl)-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-amine (CID 1448318) is N-(cyclopropylmethyl)-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-amine?
The canonical SMILES for N-(cyclopropylmethyl)-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-amine is C1CCc2c(nc3nnnn3c2NCC2CC2)C1.
What is the InChIKey of N-(cyclopropylmethyl)-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-amine?
The InChIKey is WLJURVSJIMWVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6/c1-2-4-10-9(3-1)11(13-7-8-5-6-8)18-12(14-10)15-16-17-18/h8,13H,1-7H2.
What are the key properties of N-(cyclopropylmethyl)-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-amine?
N-(cyclopropylmethyl)-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-amine has a molecular weight of 244.30 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-amine is sourced from PubChem (CID 1448318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).