6-[(4-amino-1,3,5-triazin-2-yl)amino]-3,3,8-trimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione;molecular hydrogen

C13H17N7O2 — CID 158478502

IUPAC6-[(4-amino-1,3,5-triazin-2-yl)amino]-3,3,8-trimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione;molecular hydrogen
SMILESCc1cc(Nc2ncnc(N)n2)c(=O)n2c1C(=O)NC2(C)C.[H][H]
InChIInChI=1S/C13H15N7O2.H2/c1-6-4-7(17-12-16-5-15-11(14)18-12)10(22)20-8(6)9(21)19-13(20,2)3;/h4-5H,1-3H3,(H,19,21)(H3,14,15,16,17,18);1H
InChIKeyHHFSEJUCDGSJCV-UHFFFAOYSA-N
MW303.33 g/mol
LogP0.35
Rot. Bonds2

About 6-[(4-amino-1,3,5-triazin-2-yl)amino]-3,3,8-trimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione;molecular hydrogen

6-[(4-amino-1,3,5-triazin-2-yl)amino]-3,3,8-trimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione;molecular hydrogen (PubChem CID 158478502) has the molecular formula C13H17N7O2 and a molecular weight of 303.33 g/mol. Its IUPAC name is 6-[(4-amino-1,3,5-triazin-2-yl)amino]-3,3,8-trimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione;molecular hydrogen.

Molecular Properties

Compound Name6-[(4-amino-1,3,5-triazin-2-yl)amino]-3,3,8-trimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione;molecular hydrogen
PubChem CID158478502
Molecular FormulaC13H17N7O2
Molecular Weight303.33 g/mol
Exact Mass303.14
IUPAC Name6-[(4-amino-1,3,5-triazin-2-yl)amino]-3,3,8-trimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione;molecular hydrogen
SMILESCc1cc(Nc2ncnc(N)n2)c(=O)n2c1C(=O)NC2(C)C.[H][H]
InChIInChI=1S/C13H15N7O2.H2/c1-6-4-7(17-12-16-5-15-11(14)18-12)10(22)20-8(6)9(21)19-13(20,2)3;/h4-5H,1-3H3,(H,19,21)(H3,14,15,16,17,18);1H
InChIKeyHHFSEJUCDGSJCV-UHFFFAOYSA-N
XLogP0.35
TPSA127.82 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

6-[[6-(ethylamino)pyrimidin-4-yl]amino]-3,3,8-trimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione
CID 172572669
3,3,8-trimethyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione
CID 160750705
6-[(4-aminopyrimidin-2-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
CID 162654959
6-[(6-aminopyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
CID 118598796
CID 166460731
CID 166460731
6-[(6-amino-5-methoxypyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;hydrochloride
CID 118598679
CID 167457384
CID 167457384
CID 167457399
CID 167457399
6-[(6-aminopyrimidin-4-yl)amino]-1',7',7',8-tetramethylspiro[2H-imidazo[1,5-a]pyridine-3,2'-bicyclo[2.2.1]heptane]-1,5-dione
CID 177163117
[1-[4-[(3,3,8-trimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)amino]thieno[2,3-d]pyrimidine-6-carbonyl]azetidin-3-yl]carbamic acid
CID 135240104
6-[(6-amino-5-chloropyrimidin-4-yl)amino]-1',3',3',8-tetramethylspiro[2H-imidazo[1,5-a]pyridine-3,5'-piperidine]-1,5-dione
CID 139479932
1-[4-[(3,3,8-trimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)amino]thieno[2,3-d]pyrimidine-6-carbonyl]azetidine-3-carbonitrile
CID 135240055

Frequently Asked Questions

What is the IUPAC name of 6-[(4-amino-1,3,5-triazin-2-yl)amino]-3,3,8-trimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione;molecular hydrogen?
The IUPAC name of 6-[(4-amino-1,3,5-triazin-2-yl)amino]-3,3,8-trimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione;molecular hydrogen (CID 158478502) is 6-[(4-amino-1,3,5-triazin-2-yl)amino]-3,3,8-trimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione;molecular hydrogen.
What is the SMILES notation for 6-[(4-amino-1,3,5-triazin-2-yl)amino]-3,3,8-trimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione;molecular hydrogen?
The canonical SMILES for 6-[(4-amino-1,3,5-triazin-2-yl)amino]-3,3,8-trimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione;molecular hydrogen is Cc1cc(Nc2ncnc(N)n2)c(=O)n2c1C(=O)NC2(C)C.[H][H].
What is the InChIKey of 6-[(4-amino-1,3,5-triazin-2-yl)amino]-3,3,8-trimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione;molecular hydrogen?
The InChIKey is HHFSEJUCDGSJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7O2.H2/c1-6-4-7(17-12-16-5-15-11(14)18-12)10(22)20-8(6)9(21)19-13(20,2)3;/h4-5H,1-3H3,(H,19,21)(H3,14,15,16,17,18);1H.
What are the key properties of 6-[(4-amino-1,3,5-triazin-2-yl)amino]-3,3,8-trimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione;molecular hydrogen?
6-[(4-amino-1,3,5-triazin-2-yl)amino]-3,3,8-trimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione;molecular hydrogen has a molecular weight of 303.33 g/mol, XLogP of 0.35, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-amino-1,3,5-triazin-2-yl)amino]-3,3,8-trimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione;molecular hydrogen is sourced from PubChem (CID 158478502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).