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

C9H11N5 — CID 1481962

IUPAC9-methyl-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazoline
SMILESCc1c2c(nc3nnnn13)CCCC2
InChIInChI=1S/C9H11N5/c1-6-7-4-2-3-5-8(7)10-9-11-12-13-14(6)9/h2-5H2,1H3
InChIKeyWFHYJKKLGBROEX-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.71
Rot. Bonds

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

9-methyl-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazoline (PubChem CID 1481962) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is 9-methyl-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazoline.

Molecular Properties

Compound Name9-methyl-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazoline
PubChem CID1481962
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC Name9-methyl-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazoline
SMILESCc1c2c(nc3nnnn13)CCCC2
InChIInChI=1S/C9H11N5/c1-6-7-4-2-3-5-8(7)10-9-11-12-13-14(6)9/h2-5H2,1H3
InChIKeyWFHYJKKLGBROEX-UHFFFAOYSA-N
XLogP0.71
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-Methyl-5,6,7,8-tetrahydroquinazolin-2-amine
CID 4962065
Cyclopentyl-(5,6,7,8-tetrahydro-1,2,3,3a,9-pentaaza-cyclopenta[b]naphthalen-4-yl)-amine
CID 1448315
N-prop-2-ynyl-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-amine
CID 3231395
N-prop-2-enyl-5,6,7,8-tetrahydrotetrazolo[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
4-Piperidin-1-yl-5,6,7,8-tetrahydro-1,2,3,3a,9-pentaaza-cyclopenta[b]naphthalene
CID 1448314
6,7,8,9-Tetrahydrotetrazolo[1,5-a]quinazoline
CID 2319614
Cyclopropylmethyl-(5,6,7,8-tetrahydro-1,2,3,3a,9-pentaaza-cyclopenta[b]naphthalen-4-yl)-amine
CID 1448318
2,4-Dimethyl-5,6,7,8-tetrahydroquinazoline
CID 13111293
2-(4,6-Dimethylpyrimidin-2-yl)-4,5,6,7-tetrahydro-2h-indazol-3-amine
CID 65348270
9-(Azonan-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline
CID 46096735

Frequently Asked Questions

What is the IUPAC name of 9-methyl-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazoline?
The IUPAC name of 9-methyl-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazoline (CID 1481962) is 9-methyl-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazoline.
What is the SMILES notation for 9-methyl-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazoline?
The canonical SMILES for 9-methyl-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazoline is Cc1c2c(nc3nnnn13)CCCC2.
What is the InChIKey of 9-methyl-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazoline?
The InChIKey is WFHYJKKLGBROEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5/c1-6-7-4-2-3-5-8(7)10-9-11-12-13-14(6)9/h2-5H2,1H3.
What are the key properties of 9-methyl-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazoline?
9-methyl-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazoline has a molecular weight of 189.22 g/mol, XLogP of 0.71, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazoline is sourced from PubChem (CID 1481962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).