N-[phenyl(1H-1,2,4-triazol-5-yl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine

C19H14N6O — CID 138043444

IUPACN-[phenyl(1H-1,2,4-triazol-5-yl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESc1ccc(C(Nc2ncnc3c2oc2ccccc23)c2ncn[nH]2)cc1
InChIInChI=1S/C19H14N6O/c1-2-6-12(7-3-1)15(18-22-11-23-25-18)24-19-17-16(20-10-21-19)13-8-4-5-9-14(13)26-17/h1-11,15H,(H,20,21,24)(H,22,23,25)
InChIKeyQHSZKEMPBSNTMB-UHFFFAOYSA-N
MW342.36 g/mol
LogP3.70
Rot. Bonds4

About N-[phenyl(1H-1,2,4-triazol-5-yl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine

N-[phenyl(1H-1,2,4-triazol-5-yl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine (PubChem CID 138043444) has the molecular formula C19H14N6O and a molecular weight of 342.36 g/mol. Its IUPAC name is N-[phenyl(1H-1,2,4-triazol-5-yl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[phenyl(1H-1,2,4-triazol-5-yl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine
PubChem CID138043444
Molecular FormulaC19H14N6O
Molecular Weight342.36 g/mol
Exact Mass342.12
IUPAC NameN-[phenyl(1H-1,2,4-triazol-5-yl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESc1ccc(C(Nc2ncnc3c2oc2ccccc23)c2ncn[nH]2)cc1
InChIInChI=1S/C19H14N6O/c1-2-6-12(7-3-1)15(18-22-11-23-25-18)24-19-17-16(20-10-21-19)13-8-4-5-9-14(13)26-17/h1-11,15H,(H,20,21,24)(H,22,23,25)
InChIKeyQHSZKEMPBSNTMB-UHFFFAOYSA-N
XLogP3.70
TPSA92.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[phenyl(1H-1,2,4-triazol-5-yl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine with MolForge

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Related Compounds

N-propan-2-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 4678850
(2S)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-3-methylbutan-1-ol
CID 133337888
N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 133293036
2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-2-(4-chlorophenyl)ethanol
CID 133445052
(2R)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-3-phenylpropanoate
CID 6949779
N-[(1R)-1-pyridin-2-ylethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 41194411
N-[1-(4-pyrazol-1-ylphenyl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 133327160
2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)phenol
CID 664112
5-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)pentanenitrile
CID 133299937
N-[2-(benzenesulfonyl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 75415291
(2R)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-3-(1H-indol-3-yl)propanoate
CID 6965328
N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 9116594

Frequently Asked Questions

What is the IUPAC name of N-[phenyl(1H-1,2,4-triazol-5-yl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[phenyl(1H-1,2,4-triazol-5-yl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine (CID 138043444) is N-[phenyl(1H-1,2,4-triazol-5-yl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[phenyl(1H-1,2,4-triazol-5-yl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[phenyl(1H-1,2,4-triazol-5-yl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine is c1ccc(C(Nc2ncnc3c2oc2ccccc23)c2ncn[nH]2)cc1.
What is the InChIKey of N-[phenyl(1H-1,2,4-triazol-5-yl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The InChIKey is QHSZKEMPBSNTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N6O/c1-2-6-12(7-3-1)15(18-22-11-23-25-18)24-19-17-16(20-10-21-19)13-8-4-5-9-14(13)26-17/h1-11,15H,(H,20,21,24)(H,22,23,25).
What are the key properties of N-[phenyl(1H-1,2,4-triazol-5-yl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine?
N-[phenyl(1H-1,2,4-triazol-5-yl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine has a molecular weight of 342.36 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[phenyl(1H-1,2,4-triazol-5-yl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 138043444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).