N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]-2H-triazole-4-carboxamide

C10H13N7O2 — CID 135990879

IUPACN-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]-2H-triazole-4-carboxamide
SMILESCc1cc(=O)[nH]c(NCCNC(=O)c2cn[nH]n2)n1
InChIInChI=1S/C10H13N7O2/c1-6-4-8(18)15-10(14-6)12-3-2-11-9(19)7-5-13-17-16-7/h4-5H,2-3H2,1H3,(H,11,19)(H,13,16,17)(H2,12,14,15,18)
InChIKeyWIXBAPRGVUIUSQ-UHFFFAOYSA-N
MW263.26 g/mol
LogP-0.96
Rot. Bonds5

About N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]-2H-triazole-4-carboxamide

N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]-2H-triazole-4-carboxamide (PubChem CID 135990879) has the molecular formula C10H13N7O2 and a molecular weight of 263.26 g/mol. Its IUPAC name is N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]-2H-triazole-4-carboxamide
PubChem CID135990879
Molecular FormulaC10H13N7O2
Molecular Weight263.26 g/mol
Exact Mass263.11
IUPAC NameN-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]-2H-triazole-4-carboxamide
SMILESCc1cc(=O)[nH]c(NCCNC(=O)c2cn[nH]n2)n1
InChIInChI=1S/C10H13N7O2/c1-6-4-8(18)15-10(14-6)12-3-2-11-9(19)7-5-13-17-16-7/h4-5H,2-3H2,1H3,(H,11,19)(H,13,16,17)(H2,12,14,15,18)
InChIKeyWIXBAPRGVUIUSQ-UHFFFAOYSA-N
XLogP-0.96
TPSA128.45 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 5-0.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(6-methyl-2-oxo-1(2H)-pyridinyl)propyl]-1H-1,2,3-triazole-5-carboxamide
CID 56906235
N-[1-(ethylamino)ethyl]-2H-triazole-4-carboxamide
CID 89086724
N-(6-oxo-1-propyl-3-pyridinyl)-2H-triazole-4-carboxamide
CID 47339542
N-(1-ethyl-6-oxo-3-pyridinyl)-2H-triazole-4-carboxamide
CID 47341950
N-[2-(4,6-dimethyl-2-oxo-1(2H)-pyrimidinyl)ethyl]-1H-1,2,3-triazole-5-carboxamide
CID 56907743
N-[2-(propylamino)ethyl]-2H-triazole-4-carboxamide
CID 63282932
N-[3-(ethylamino)propyl]-2H-triazole-4-carboxamide
CID 63283240
N-ethyl-4-(2H-triazole-4-carbonyl)piperazine-1-carboxamide
CID 78953456
N-[3-(methylamino)-3-oxopropyl]-2H-triazole-4-carboxamide
CID 78968296
N-[2-(carbamoylamino)ethyl]-2H-triazole-4-carboxamide
CID 78995318
N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methyl-2H-triazole-4-carboxamide
CID 80497815
N-[2-(dimethylcarbamoylamino)ethyl]-2H-triazole-4-carboxamide
CID 83115177

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]-2H-triazole-4-carboxamide?
The IUPAC name of N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]-2H-triazole-4-carboxamide (CID 135990879) is N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]-2H-triazole-4-carboxamide?
The canonical SMILES for N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]-2H-triazole-4-carboxamide is Cc1cc(=O)[nH]c(NCCNC(=O)c2cn[nH]n2)n1.
What is the InChIKey of N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]-2H-triazole-4-carboxamide?
The InChIKey is WIXBAPRGVUIUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N7O2/c1-6-4-8(18)15-10(14-6)12-3-2-11-9(19)7-5-13-17-16-7/h4-5H,2-3H2,1H3,(H,11,19)(H,13,16,17)(H2,12,14,15,18).
What are the key properties of N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]-2H-triazole-4-carboxamide?
N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]-2H-triazole-4-carboxamide has a molecular weight of 263.26 g/mol, XLogP of -0.96, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 135990879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).