3-(furan-2-yl)-N-(2-methoxyethyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine

C16H15N5O2 — CID 42864610

IUPAC3-(furan-2-yl)-N-(2-methoxyethyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
SMILESCOCCNc1nc2ccccc2c2nnc(-c3ccco3)n12
InChIInChI=1S/C16H15N5O2/c1-22-10-8-17-16-18-12-6-3-2-5-11(12)14-19-20-15(21(14)16)13-7-4-9-23-13/h2-7,9H,8,10H2,1H3,(H,17,18)
InChIKeyQZJUVJPTWHEDDO-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.60
Rot. Bonds5

About 3-(furan-2-yl)-N-(2-methoxyethyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine

3-(furan-2-yl)-N-(2-methoxyethyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine (PubChem CID 42864610) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-(2-methoxyethyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine.

Molecular Properties

Compound Name3-(furan-2-yl)-N-(2-methoxyethyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
PubChem CID42864610
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name3-(furan-2-yl)-N-(2-methoxyethyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
SMILESCOCCNc1nc2ccccc2c2nnc(-c3ccco3)n12
InChIInChI=1S/C16H15N5O2/c1-22-10-8-17-16-18-12-6-3-2-5-11(12)14-19-20-15(21(14)16)13-7-4-9-23-13/h2-7,9H,8,10H2,1H3,(H,17,18)
InChIKeyQZJUVJPTWHEDDO-UHFFFAOYSA-N
XLogP2.60
TPSA77.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.60
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-(cyclopropylmethyl)-3-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
CID 42864602
3-(furan-2-yl)-5-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-c]quinazoline
CID 46045350
2-[[5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]-N-propan-2-ylacetamide
CID 50755382
N',N'-dimethyl-N-[3-(4-nitrophenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]ethane-1,2-diamine
CID 42864608
methyl 2-[[2-[[5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]acetyl]amino]-5-methylthiophene-3-carboxylate
CID 50755383
2-(furan-2-yl)-N-(2-methoxyethyl)imidazo[1,2-a]pyridin-3-amine
CID 138535956
N-(3-benzyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-N',N'-dimethylethane-1,2-diamine
CID 46063488
4-[3-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-2-methyl-N-phenylpiperazine-1-carboxamide
CID 46064617
3-(furan-2-yl)-5-[(3S)-3-methyl-4-[(2-nitrophenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-c]quinazoline
CID 92994273
5-[(3S)-4-[(2-fluoro-5-methylphenyl)methyl]-3-methylpiperazin-1-yl]-3-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazoline
CID 92994271
2-[[5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]-N-(3-methylphenyl)acetamide
CID 50755280
4-[2-[[5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]ethyl]morpholine
CID 50755180

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-(2-methoxyethyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine?
The IUPAC name of 3-(furan-2-yl)-N-(2-methoxyethyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine (CID 42864610) is 3-(furan-2-yl)-N-(2-methoxyethyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine.
What is the SMILES notation for 3-(furan-2-yl)-N-(2-methoxyethyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine?
The canonical SMILES for 3-(furan-2-yl)-N-(2-methoxyethyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine is COCCNc1nc2ccccc2c2nnc(-c3ccco3)n12.
What is the InChIKey of 3-(furan-2-yl)-N-(2-methoxyethyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine?
The InChIKey is QZJUVJPTWHEDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c1-22-10-8-17-16-18-12-6-3-2-5-11(12)14-19-20-15(21(14)16)13-7-4-9-23-13/h2-7,9H,8,10H2,1H3,(H,17,18).
What are the key properties of 3-(furan-2-yl)-N-(2-methoxyethyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine?
3-(furan-2-yl)-N-(2-methoxyethyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine has a molecular weight of 309.33 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-(2-methoxyethyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine is sourced from PubChem (CID 42864610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).