3-(methoxymethyl)-9-methyl-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine

C16H21N5O — CID 42864498

IUPAC3-(methoxymethyl)-9-methyl-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
SMILESCOCc1nnc2c3cc(C)ccc3nc(NCC(C)C)n12
InChIInChI=1S/C16H21N5O/c1-10(2)8-17-16-18-13-6-5-11(3)7-12(13)15-20-19-14(9-22-4)21(15)16/h5-7,10H,8-9H2,1-4H3,(H,17,18)
InChIKeyUCNJKPKQFNERFU-UHFFFAOYSA-N
MW299.38 g/mol
LogP2.80
Rot. Bonds5

About 3-(methoxymethyl)-9-methyl-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine

3-(methoxymethyl)-9-methyl-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine (PubChem CID 42864498) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 3-(methoxymethyl)-9-methyl-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine.

Molecular Properties

Compound Name3-(methoxymethyl)-9-methyl-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
PubChem CID42864498
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name3-(methoxymethyl)-9-methyl-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
SMILESCOCc1nnc2c3cc(C)ccc3nc(NCC(C)C)n12
InChIInChI=1S/C16H21N5O/c1-10(2)8-17-16-18-13-6-5-11(3)7-12(13)15-20-19-14(9-22-4)21(15)16/h5-7,10H,8-9H2,1-4H3,(H,17,18)
InChIKeyUCNJKPKQFNERFU-UHFFFAOYSA-N
XLogP2.80
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(methoxymethyl)-9-methyl-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine with MolForge

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Related Compounds

3-cyclohexyl-N-ethyl-9-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
CID 42864553
N'-[3-(2-fluorophenyl)-9-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-N-methylethane-1,2-diamine
CID 42864529
3-(3-methoxyphenyl)-9-methyl-N-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
CID 42864468
N-cyclopropyl-3-(3-methoxyphenyl)-9-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
CID 46063348
N-(2-chloro-4-methylphenyl)-3-ethyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
CID 20927463
5-chloro-3-(2-methoxyphenyl)-9-methyl-[1,2,4]triazolo[4,3-c]quinazoline
CID 42864317
3-(furan-2-yl)-N-(2-methoxyethyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
CID 42864610
N-benzyl-3-(4-methoxyphenyl)-N,9-dimethyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
CID 46063466
N-(3-benzyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-N',N'-dimethylethane-1,2-diamine
CID 46063488
2-N-methyl-4-N-(2-methylpropyl)quinazoline-2,4-diamine
CID 80770166
methyl 4-[(3-ethyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)amino]benzoate
CID 20927479
N-(cyclopropylmethyl)-3-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
CID 42864602

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-9-methyl-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine?
The IUPAC name of 3-(methoxymethyl)-9-methyl-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine (CID 42864498) is 3-(methoxymethyl)-9-methyl-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine.
What is the SMILES notation for 3-(methoxymethyl)-9-methyl-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine?
The canonical SMILES for 3-(methoxymethyl)-9-methyl-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine is COCc1nnc2c3cc(C)ccc3nc(NCC(C)C)n12.
What is the InChIKey of 3-(methoxymethyl)-9-methyl-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine?
The InChIKey is UCNJKPKQFNERFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-10(2)8-17-16-18-13-6-5-11(3)7-12(13)15-20-19-14(9-22-4)21(15)16/h5-7,10H,8-9H2,1-4H3,(H,17,18).
What are the key properties of 3-(methoxymethyl)-9-methyl-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine?
3-(methoxymethyl)-9-methyl-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine has a molecular weight of 299.38 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-9-methyl-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine is sourced from PubChem (CID 42864498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).