1-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]pyrazole-3-carboxamide

C11H15N7O2 — CID 80868762

IUPAC1-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]pyrazole-3-carboxamide
SMILESCCCNc1nc(OC)nc(-n2ccc(C(N)=O)n2)n1
InChIInChI=1S/C11H15N7O2/c1-3-5-13-9-14-10(16-11(15-9)20-2)18-6-4-7(17-18)8(12)19/h4,6H,3,5H2,1-2H3,(H2,12,19)(H,13,14,15,16)
InChIKeyQZJQJQTWWOMNPQ-UHFFFAOYSA-N
MW277.29 g/mol
LogP-0.01
Rot. Bonds6

About 1-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]pyrazole-3-carboxamide

1-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]pyrazole-3-carboxamide (PubChem CID 80868762) has the molecular formula C11H15N7O2 and a molecular weight of 277.29 g/mol. Its IUPAC name is 1-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]pyrazole-3-carboxamide
PubChem CID80868762
Molecular FormulaC11H15N7O2
Molecular Weight277.29 g/mol
Exact Mass277.13
IUPAC Name1-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]pyrazole-3-carboxamide
SMILESCCCNc1nc(OC)nc(-n2ccc(C(N)=O)n2)n1
InChIInChI=1S/C11H15N7O2/c1-3-5-13-9-14-10(16-11(15-9)20-2)18-6-4-7(17-18)8(12)19/h4,6H,3,5H2,1-2H3,(H2,12,19)(H,13,14,15,16)
InChIKeyQZJQJQTWWOMNPQ-UHFFFAOYSA-N
XLogP-0.01
TPSA120.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-N-methylpyrazole-3-carboxamide
CID 80902696
1-[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]pyrazole-3-carboxamide
CID 103331174
2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethyl carbamate
CID 83215694
1-[5-(propylamino)-3-pyridinyl]pyrazole-3-carboxamide
CID 104535988
methyl 2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]acetate
CID 80778176
2-[ethyl-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-methylacetamide
CID 80808988
4-methoxy-6-(1-oxo-1,4-thiazinan-4-yl)-N-propyl-1,3,5-triazin-2-amine
CID 80804877
4-(1,1-dioxo-1,4-thiazinan-4-yl)-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 80793176
1-[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]pyrazole-3-carboxamide
CID 80843144
4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 80825850
4-methoxy-6-morpholin-4-yl-N-propyl-1,3,5-triazin-2-amine
CID 80766525
[1-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]methanol
CID 80757527

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]pyrazole-3-carboxamide?
The IUPAC name of 1-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]pyrazole-3-carboxamide (CID 80868762) is 1-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]pyrazole-3-carboxamide?
The canonical SMILES for 1-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]pyrazole-3-carboxamide is CCCNc1nc(OC)nc(-n2ccc(C(N)=O)n2)n1.
What is the InChIKey of 1-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]pyrazole-3-carboxamide?
The InChIKey is QZJQJQTWWOMNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N7O2/c1-3-5-13-9-14-10(16-11(15-9)20-2)18-6-4-7(17-18)8(12)19/h4,6H,3,5H2,1-2H3,(H2,12,19)(H,13,14,15,16).
What are the key properties of 1-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]pyrazole-3-carboxamide?
1-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]pyrazole-3-carboxamide has a molecular weight of 277.29 g/mol, XLogP of -0.01, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 80868762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).