N-[(Z)-butan-2-ylideneamino]-2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C14H16N6O — CID 11778609

IUPACN-[(Z)-butan-2-ylideneamino]-2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCC/C(C)=N\Nc1cc(C)nc2nc(-c3ccco3)nn12
InChIInChI=1S/C14H16N6O/c1-4-9(2)17-18-12-8-10(3)15-14-16-13(19-20(12)14)11-6-5-7-21-11/h5-8,18H,4H2,1-3H3/b17-9-
InChIKeyFCCDCPGDCBBVJG-MFOYZWKCSA-N
MW284.32 g/mol
LogP2.89
Rot. Bonds4

About N-[(Z)-butan-2-ylideneamino]-2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-[(Z)-butan-2-ylideneamino]-2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 11778609) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is N-[(Z)-butan-2-ylideneamino]-2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[(Z)-butan-2-ylideneamino]-2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID11778609
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC NameN-[(Z)-butan-2-ylideneamino]-2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCC/C(C)=N\Nc1cc(C)nc2nc(-c3ccco3)nn12
InChIInChI=1S/C14H16N6O/c1-4-9(2)17-18-12-8-10(3)15-14-16-13(19-20(12)14)11-6-5-7-21-11/h5-8,18H,4H2,1-3H3/b17-9-
InChIKeyFCCDCPGDCBBVJG-MFOYZWKCSA-N
XLogP2.89
TPSA80.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(Z)-butan-2-ylideneamino]-2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-ethylphenyl)-2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 20961756
2-(furan-2-yl)-5-methyl-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 20961786
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 20961774
2-(furan-2-yl)-N-(2-methoxy-5-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 20961709
methyl 4-[[2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]benzoate
CID 20961731
2-(furan-2-yl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 20961755
N-[[5-[[(2S)-2-ethylpiperidin-1-yl]methyl]furan-2-yl]methyl]-2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 26792305
ethyl 1-[2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxylate
CID 20961762
2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine
CID 69312245
N-(4-ethylphenyl)-2-(furan-2-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 50800239
N-ethyl-5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 20961806
2-(furan-2-yl)-5-N-propyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
CID 15729947

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-butan-2-ylideneamino]-2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[(Z)-butan-2-ylideneamino]-2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 11778609) is N-[(Z)-butan-2-ylideneamino]-2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[(Z)-butan-2-ylideneamino]-2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[(Z)-butan-2-ylideneamino]-2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CC/C(C)=N\Nc1cc(C)nc2nc(-c3ccco3)nn12.
What is the InChIKey of N-[(Z)-butan-2-ylideneamino]-2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is FCCDCPGDCBBVJG-MFOYZWKCSA-N. The full InChI is InChI=1S/C14H16N6O/c1-4-9(2)17-18-12-8-10(3)15-14-16-13(19-20(12)14)11-6-5-7-21-11/h5-8,18H,4H2,1-3H3/b17-9-.
What are the key properties of N-[(Z)-butan-2-ylideneamino]-2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-[(Z)-butan-2-ylideneamino]-2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 284.32 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-butan-2-ylideneamino]-2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 11778609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).