(7R)-7-ethyl-5-methyl-8-propan-2-yl-2-[5-(1H-pyrazol-5-yl)-1,2,4-triazol-1-yl]-7H-pteridin-6-one

C17H21N9O — CID 58405692

IUPAC(7R)-7-ethyl-5-methyl-8-propan-2-yl-2-[5-(1H-pyrazol-5-yl)-1,2,4-triazol-1-yl]-7H-pteridin-6-one
SMILESCC[C@@H]1C(=O)N(C)c2cnc(-n3ncnc3-c3ccn[nH]3)nc2N1C(C)C
InChIInChI=1S/C17H21N9O/c1-5-12-16(27)24(4)13-8-18-17(22-15(13)25(12)10(2)3)26-14(19-9-21-26)11-6-7-20-23-11/h6-10,12H,5H2,1-4H3,(H,20,23)/t12-/m1/s1
InChIKeyCADFDCMJUINVRZ-GFCCVEGCSA-N
MW367.42 g/mol
LogP1.42
Rot. Bonds4

About (7R)-7-ethyl-5-methyl-8-propan-2-yl-2-[5-(1H-pyrazol-5-yl)-1,2,4-triazol-1-yl]-7H-pteridin-6-one

(7R)-7-ethyl-5-methyl-8-propan-2-yl-2-[5-(1H-pyrazol-5-yl)-1,2,4-triazol-1-yl]-7H-pteridin-6-one (PubChem CID 58405692) has the molecular formula C17H21N9O and a molecular weight of 367.42 g/mol. Its IUPAC name is (7R)-7-ethyl-5-methyl-8-propan-2-yl-2-[5-(1H-pyrazol-5-yl)-1,2,4-triazol-1-yl]-7H-pteridin-6-one.

Molecular Properties

Compound Name(7R)-7-ethyl-5-methyl-8-propan-2-yl-2-[5-(1H-pyrazol-5-yl)-1,2,4-triazol-1-yl]-7H-pteridin-6-one
PubChem CID58405692
Molecular FormulaC17H21N9O
Molecular Weight367.42 g/mol
Exact Mass367.19
IUPAC Name(7R)-7-ethyl-5-methyl-8-propan-2-yl-2-[5-(1H-pyrazol-5-yl)-1,2,4-triazol-1-yl]-7H-pteridin-6-one
SMILESCC[C@@H]1C(=O)N(C)c2cnc(-n3ncnc3-c3ccn[nH]3)nc2N1C(C)C
InChIInChI=1S/C17H21N9O/c1-5-12-16(27)24(4)13-8-18-17(22-15(13)25(12)10(2)3)26-14(19-9-21-26)11-6-7-20-23-11/h6-10,12H,5H2,1-4H3,(H,20,23)/t12-/m1/s1
InChIKeyCADFDCMJUINVRZ-GFCCVEGCSA-N
XLogP1.42
TPSA108.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (7R)-7-ethyl-5-methyl-8-propan-2-yl-2-[5-(1H-pyrazol-5-yl)-1,2,4-triazol-1-yl]-7H-pteridin-6-one with MolForge

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Launch Full Analysis

Related Compounds

7-ethyl-5-methyl-8-propan-2-yl-2-[4-(1H-pyrazol-5-yl)-1,3-thiazol-5-yl]-7H-pteridin-6-one
CID 67260275
(7R)-7-ethyl-5-methyl-2-[2-(4-methylphenyl)imidazol-1-yl]-8-propan-2-yl-7H-pteridin-6-one
CID 58405382
(7R)-7-ethyl-5-methyl-2-(2-phenyl-4,5-dihydroimidazol-1-yl)-8-propan-2-yl-7H-pteridin-6-one
CID 58405577
(7R)-7-ethyl-2-hydrazinyl-5-methyl-8-propan-2-yl-7H-pteridin-6-one
CID 58405428
8-(1-cyclopropylethyl)-7-ethyl-5-methyl-2-(2-phenylimidazol-1-yl)-7H-pteridin-6-one
CID 76777977
2-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-ethyl-5-methyl-8-propan-2-yl-7H-pteridin-6-one
CID 67261109
2-(1,3-diimino-1-phenylpropan-2-yl)-7-ethyl-5-methyl-8-propan-2-yl-7H-pteridin-6-one
CID 123696799
1-[4-(7-ethyl-5-methyl-6-oxo-8-propan-2-yl-7H-pteridin-2-yl)-3-pyridinyl]ethylcarbamic acid
CID 67369407
[4-(7-ethyl-5-methyl-6-oxo-8-propan-2-yl-7H-pteridin-2-yl)-3-pyridinyl]methylcarbamic acid
CID 70922068
2-(7-ethyl-5-methyl-6-oxo-8-propan-2-yl-7H-pteridin-2-yl)-3-(4-fluorophenyl)-3-oxopropanal
CID 76778028
(7R)-2-chloro-7-ethyl-5-methyl-8-propan-2-yl-7H-pteridin-6-one;2-(3-chlorophenyl)-1H-imidazole;(7R)-2-[2-(3-chlorophenyl)imidazol-1-yl]-7-ethyl-5-methyl-8-propan-2-yl-7H-pteridin-6-one
CID 158722688
7-ethyl-5-methyl-2-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]-8-propan-2-yl-7H-pteridin-6-one
CID 67253848

Frequently Asked Questions

What is the IUPAC name of (7R)-7-ethyl-5-methyl-8-propan-2-yl-2-[5-(1H-pyrazol-5-yl)-1,2,4-triazol-1-yl]-7H-pteridin-6-one?
The IUPAC name of (7R)-7-ethyl-5-methyl-8-propan-2-yl-2-[5-(1H-pyrazol-5-yl)-1,2,4-triazol-1-yl]-7H-pteridin-6-one (CID 58405692) is (7R)-7-ethyl-5-methyl-8-propan-2-yl-2-[5-(1H-pyrazol-5-yl)-1,2,4-triazol-1-yl]-7H-pteridin-6-one.
What is the SMILES notation for (7R)-7-ethyl-5-methyl-8-propan-2-yl-2-[5-(1H-pyrazol-5-yl)-1,2,4-triazol-1-yl]-7H-pteridin-6-one?
The canonical SMILES for (7R)-7-ethyl-5-methyl-8-propan-2-yl-2-[5-(1H-pyrazol-5-yl)-1,2,4-triazol-1-yl]-7H-pteridin-6-one is CC[C@@H]1C(=O)N(C)c2cnc(-n3ncnc3-c3ccn[nH]3)nc2N1C(C)C.
What is the InChIKey of (7R)-7-ethyl-5-methyl-8-propan-2-yl-2-[5-(1H-pyrazol-5-yl)-1,2,4-triazol-1-yl]-7H-pteridin-6-one?
The InChIKey is CADFDCMJUINVRZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H21N9O/c1-5-12-16(27)24(4)13-8-18-17(22-15(13)25(12)10(2)3)26-14(19-9-21-26)11-6-7-20-23-11/h6-10,12H,5H2,1-4H3,(H,20,23)/t12-/m1/s1.
What are the key properties of (7R)-7-ethyl-5-methyl-8-propan-2-yl-2-[5-(1H-pyrazol-5-yl)-1,2,4-triazol-1-yl]-7H-pteridin-6-one?
(7R)-7-ethyl-5-methyl-8-propan-2-yl-2-[5-(1H-pyrazol-5-yl)-1,2,4-triazol-1-yl]-7H-pteridin-6-one has a molecular weight of 367.42 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-ethyl-5-methyl-8-propan-2-yl-2-[5-(1H-pyrazol-5-yl)-1,2,4-triazol-1-yl]-7H-pteridin-6-one is sourced from PubChem (CID 58405692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).