4-(dimethylamino)-1-[(3-methyl-2-pyridinyl)methyl]-1,3,5-triazin-2-one

C12H15N5O — CID 57128477

IUPAC4-(dimethylamino)-1-[(3-methyl-2-pyridinyl)methyl]-1,3,5-triazin-2-one
SMILESCc1cccnc1Cn1cnc(N(C)C)nc1=O
InChIInChI=1S/C12H15N5O/c1-9-5-4-6-13-10(9)7-17-8-14-11(16(2)3)15-12(17)18/h4-6,8H,7H2,1-3H3
InChIKeyKXKGZSWOFFMXQZ-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.46
Rot. Bonds3

About 4-(dimethylamino)-1-[(3-methyl-2-pyridinyl)methyl]-1,3,5-triazin-2-one

4-(dimethylamino)-1-[(3-methyl-2-pyridinyl)methyl]-1,3,5-triazin-2-one (PubChem CID 57128477) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 4-(dimethylamino)-1-[(3-methyl-2-pyridinyl)methyl]-1,3,5-triazin-2-one.

Molecular Properties

Compound Name4-(dimethylamino)-1-[(3-methyl-2-pyridinyl)methyl]-1,3,5-triazin-2-one
PubChem CID57128477
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name4-(dimethylamino)-1-[(3-methyl-2-pyridinyl)methyl]-1,3,5-triazin-2-one
SMILESCc1cccnc1Cn1cnc(N(C)C)nc1=O
InChIInChI=1S/C12H15N5O/c1-9-5-4-6-13-10(9)7-17-8-14-11(16(2)3)15-12(17)18/h4-6,8H,7H2,1-3H3
InChIKeyKXKGZSWOFFMXQZ-UHFFFAOYSA-N
XLogP0.46
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(butylamino)-1-[(3-methyl-2-pyridinyl)methyl]-1,3,5-triazin-2-one
CID 57063722
1-[(2-chloro-3-pyridinyl)methyl]-4-[methyl(propyl)amino]-1,3,5-triazin-2-one
CID 57281161
5,6-difluoro-1-[(3-methyl-2-pyridinyl)methyl]benzimidazole
CID 116620901
3-methyl-2-(pyrrol-1-ylmethyl)pyridine
CID 63306746
2-N,2-N-dimethyl-4-N-[1-[(3-methyl-2-pyridinyl)methyl]piperidin-3-yl]pyrimidine-2,4-diamine
CID 175649508
[3-[(3-methyl-2-pyridinyl)methyl]imidazol-4-yl]methanamine
CID 66150154
N,N-dimethyl-1-(3-methyl-2-pyridinyl)methanamine
CID 20666322
1-[(3-methyl-2-pyridinyl)methyl]-2-oxopyridine-3-carbothioamide
CID 107017678
2-[[4-[(3-methyl-2-pyridinyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 63306275
2-N,2-N,5,6-tetramethyl-4-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine
CID 39818289
6-bromo-1-[(3-methyl-2-pyridinyl)methyl]indole
CID 116621884
2-[1-[(3-methyl-2-pyridinyl)methyl]imidazol-2-yl]ethanamine
CID 112651288

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-1-[(3-methyl-2-pyridinyl)methyl]-1,3,5-triazin-2-one?
The IUPAC name of 4-(dimethylamino)-1-[(3-methyl-2-pyridinyl)methyl]-1,3,5-triazin-2-one (CID 57128477) is 4-(dimethylamino)-1-[(3-methyl-2-pyridinyl)methyl]-1,3,5-triazin-2-one.
What is the SMILES notation for 4-(dimethylamino)-1-[(3-methyl-2-pyridinyl)methyl]-1,3,5-triazin-2-one?
The canonical SMILES for 4-(dimethylamino)-1-[(3-methyl-2-pyridinyl)methyl]-1,3,5-triazin-2-one is Cc1cccnc1Cn1cnc(N(C)C)nc1=O.
What is the InChIKey of 4-(dimethylamino)-1-[(3-methyl-2-pyridinyl)methyl]-1,3,5-triazin-2-one?
The InChIKey is KXKGZSWOFFMXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-9-5-4-6-13-10(9)7-17-8-14-11(16(2)3)15-12(17)18/h4-6,8H,7H2,1-3H3.
What are the key properties of 4-(dimethylamino)-1-[(3-methyl-2-pyridinyl)methyl]-1,3,5-triazin-2-one?
4-(dimethylamino)-1-[(3-methyl-2-pyridinyl)methyl]-1,3,5-triazin-2-one has a molecular weight of 245.29 g/mol, XLogP of 0.46, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-1-[(3-methyl-2-pyridinyl)methyl]-1,3,5-triazin-2-one is sourced from PubChem (CID 57128477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).