(5R,7R)-7-(furan-2-yl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

C15H15N5O — CID 931674

IUPAC(5R,7R)-7-(furan-2-yl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESNc1nc2n(n1)[C@@H](c1ccco1)C[C@H](c1ccccc1)N2
InChIInChI=1S/C15H15N5O/c16-14-18-15-17-11(10-5-2-1-3-6-10)9-12(20(15)19-14)13-7-4-8-21-13/h1-8,11-12H,9H2,(H3,16,17,18,19)/t11-,12-/m1/s1
InChIKeyWJIRJQFMVJJDGX-VXGBXAGGSA-N
MW281.32 g/mol
LogP2.60
Rot. Bonds2

About (5R,7R)-7-(furan-2-yl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

(5R,7R)-7-(furan-2-yl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (PubChem CID 931674) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is (5R,7R)-7-(furan-2-yl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name(5R,7R)-7-(furan-2-yl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
PubChem CID931674
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name(5R,7R)-7-(furan-2-yl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESNc1nc2n(n1)[C@@H](c1ccco1)C[C@H](c1ccccc1)N2
InChIInChI=1S/C15H15N5O/c16-14-18-15-17-11(10-5-2-1-3-6-10)9-12(20(15)19-14)13-7-4-8-21-13/h1-8,11-12H,9H2,(H3,16,17,18,19)/t11-,12-/m1/s1
InChIKeyWJIRJQFMVJJDGX-VXGBXAGGSA-N
XLogP2.60
TPSA81.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(5R,7S)-7-(furan-2-yl)-5-(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 935854
(5S,7S)-7-(furan-2-yl)-5-(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 935855
(5R,7R)-5-(2,4-dichlorophenyl)-7-(furan-2-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 1085836
(5S,7S)-5-(2,4-dichlorophenyl)-7-(furan-2-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 135726033
(5S,7S)-7-(4-fluorophenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 934722
(5S,7R)-7-(4-fluorophenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 934726
(5S,7S)-5-(4-methylphenyl)-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 937722
(5R,7R)-5-(4-chlorophenyl)-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 753501
7-(2-methoxyphenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 3711164
(5R,7S)-5-(4-ethoxyphenyl)-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 931814
(5S,7R)-7-(4-ethoxyphenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 933915
(5R,7R)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 135593793

Frequently Asked Questions

What is the IUPAC name of (5R,7R)-7-(furan-2-yl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of (5R,7R)-7-(furan-2-yl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (CID 931674) is (5R,7R)-7-(furan-2-yl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for (5R,7R)-7-(furan-2-yl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for (5R,7R)-7-(furan-2-yl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is Nc1nc2n(n1)[C@@H](c1ccco1)C[C@H](c1ccccc1)N2.
What is the InChIKey of (5R,7R)-7-(furan-2-yl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is WJIRJQFMVJJDGX-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H15N5O/c16-14-18-15-17-11(10-5-2-1-3-6-10)9-12(20(15)19-14)13-7-4-8-21-13/h1-8,11-12H,9H2,(H3,16,17,18,19)/t11-,12-/m1/s1.
What are the key properties of (5R,7R)-7-(furan-2-yl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
(5R,7R)-7-(furan-2-yl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 281.32 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7R)-7-(furan-2-yl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 931674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).