N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2H-triazole-4-carboxamide

C11H14N6O2 — CID 56907743

IUPACN-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2H-triazole-4-carboxamide
SMILESCc1cc(C)n(CCNC(=O)c2cn[nH]n2)c(=O)n1
InChIInChI=1S/C11H14N6O2/c1-7-5-8(2)17(11(19)14-7)4-3-12-10(18)9-6-13-16-15-9/h5-6H,3-4H2,1-2H3,(H,12,18)(H,13,15,16)
InChIKeyDZZBRFGNMAKRFQ-UHFFFAOYSA-N
MW262.27 g/mol
LogP-0.59
Rot. Bonds4

About N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2H-triazole-4-carboxamide

N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2H-triazole-4-carboxamide (PubChem CID 56907743) has the molecular formula C11H14N6O2 and a molecular weight of 262.27 g/mol. Its IUPAC name is N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2H-triazole-4-carboxamide
PubChem CID56907743
Molecular FormulaC11H14N6O2
Molecular Weight262.27 g/mol
Exact Mass262.12
IUPAC NameN-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2H-triazole-4-carboxamide
SMILESCc1cc(C)n(CCNC(=O)c2cn[nH]n2)c(=O)n1
InChIInChI=1S/C11H14N6O2/c1-7-5-8(2)17(11(19)14-7)4-3-12-10(18)9-6-13-16-15-9/h5-6H,3-4H2,1-2H3,(H,12,18)(H,13,15,16)
InChIKeyDZZBRFGNMAKRFQ-UHFFFAOYSA-N
XLogP-0.59
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)ethyl]-1-(2-piperazin-1-ylethyl)-1H-1,2,3-triazole-4-carboxamide
CID 70740152
N-allyl-1,2,3-triazole-4-carboxamide
CID 61069642
N-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-2H-triazole-4-carboxamide
CID 128028584
(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(2H-triazol-4-yl)methanone
CID 131026036
N-[3-(6-methyl-2-oxo-1(2H)-pyridinyl)propyl]-1H-1,2,3-triazole-5-carboxamide
CID 56906235
(2,6-dimethylpiperazin-1-yl)-(2H-triazol-4-yl)methanone
CID 63909615
N-[3-(4-methylpiperazin-1-yl)propyl]-2H-triazole-4-carboxamide
CID 78967991
N-[2-(dimethylamino)ethyl]-2H-triazole-4-carboxamide
CID 78968007
N-[1-(ethylamino)ethyl]-2H-triazole-4-carboxamide
CID 89086724
[(2R,6S)-2,6-dimethylpiperazin-1-yl]-(2H-triazol-4-yl)methanone
CID 135150513
[(2S,5R)-2,5-dimethylpiperazin-1-yl]-(2H-triazol-4-yl)methanone
CID 135150833
N-(6-oxo-1-propyl-3-pyridinyl)-2H-triazole-4-carboxamide
CID 47339542

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2H-triazole-4-carboxamide?
The IUPAC name of N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2H-triazole-4-carboxamide (CID 56907743) is N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2H-triazole-4-carboxamide?
The canonical SMILES for N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2H-triazole-4-carboxamide is Cc1cc(C)n(CCNC(=O)c2cn[nH]n2)c(=O)n1.
What is the InChIKey of N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2H-triazole-4-carboxamide?
The InChIKey is DZZBRFGNMAKRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O2/c1-7-5-8(2)17(11(19)14-7)4-3-12-10(18)9-6-13-16-15-9/h5-6H,3-4H2,1-2H3,(H,12,18)(H,13,15,16).
What are the key properties of N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2H-triazole-4-carboxamide?
N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2H-triazole-4-carboxamide has a molecular weight of 262.27 g/mol, XLogP of -0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 56907743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).