N-(3-methoxypropyl)-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-amine

C12H18N6O — CID 3231392

IUPACN-(3-methoxypropyl)-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-amine
SMILESCOCCCNc1c2c(nc3nnnn13)CCCC2
InChIInChI=1S/C12H18N6O/c1-19-8-4-7-13-11-9-5-2-3-6-10(9)14-12-15-16-17-18(11)12/h13H,2-8H2,1H3
InChIKeyRWILAHHNAUUTFR-UHFFFAOYSA-N
MW262.32 g/mol
LogP0.85
Rot. Bonds5

About N-(3-methoxypropyl)-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-amine

N-(3-methoxypropyl)-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-amine (PubChem CID 3231392) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is N-(3-methoxypropyl)-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-amine
PubChem CID3231392
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC NameN-(3-methoxypropyl)-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-amine
SMILESCOCCCNc1c2c(nc3nnnn13)CCCC2
InChIInChI=1S/C12H18N6O/c1-19-8-4-7-13-11-9-5-2-3-6-10(9)14-12-15-16-17-18(11)12/h13H,2-8H2,1H3
InChIKeyRWILAHHNAUUTFR-UHFFFAOYSA-N
XLogP0.85
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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
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
6-methyl-N-prop-2-enyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine
CID 3231155
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
Cyclopropylmethyl-(5,6,7,8-tetrahydro-1,2,3,3a,9-pentaaza-cyclopenta[b]naphthalen-4-yl)-amine
CID 1448318
4-Morpholin-4-yl-5,6,7,8-tetrahydro-1,2,3,3a,9-pentaaza-cyclopenta[b]naphthalene
CID 652418
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
CID 3231388
N',N'-dimethyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)ethane-1,2-diamine
CID 1448225

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-amine?
The IUPAC name of N-(3-methoxypropyl)-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-amine (CID 3231392) is N-(3-methoxypropyl)-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-amine.
What is the SMILES notation for N-(3-methoxypropyl)-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-amine?
The canonical SMILES for N-(3-methoxypropyl)-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-amine is COCCCNc1c2c(nc3nnnn13)CCCC2.
What is the InChIKey of N-(3-methoxypropyl)-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-amine?
The InChIKey is RWILAHHNAUUTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-19-8-4-7-13-11-9-5-2-3-6-10(9)14-12-15-16-17-18(11)12/h13H,2-8H2,1H3.
What are the key properties of N-(3-methoxypropyl)-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-amine?
N-(3-methoxypropyl)-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-amine has a molecular weight of 262.32 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-amine is sourced from PubChem (CID 3231392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).