N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1-methyltriazole-4-carboxamide

C14H17FN6O2 — CID 90634332

IUPACN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1-methyltriazole-4-carboxamide
SMILESCn1cc(C(=O)NC2CCC(Oc3ncc(F)cn3)CC2)nn1
InChIInChI=1S/C14H17FN6O2/c1-21-8-12(19-20-21)13(22)18-10-2-4-11(5-3-10)23-14-16-6-9(15)7-17-14/h6-8,10-11H,2-5H2,1H3,(H,18,22)
InChIKeyMPOMMEOIZGKUNV-UHFFFAOYSA-N
MW320.33 g/mol
LogP0.86
Rot. Bonds4

About N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1-methyltriazole-4-carboxamide

N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1-methyltriazole-4-carboxamide (PubChem CID 90634332) has the molecular formula C14H17FN6O2 and a molecular weight of 320.33 g/mol. Its IUPAC name is N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1-methyltriazole-4-carboxamide
PubChem CID90634332
Molecular FormulaC14H17FN6O2
Molecular Weight320.33 g/mol
Exact Mass320.14
IUPAC NameN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1-methyltriazole-4-carboxamide
SMILESCn1cc(C(=O)NC2CCC(Oc3ncc(F)cn3)CC2)nn1
InChIInChI=1S/C14H17FN6O2/c1-21-8-12(19-20-21)13(22)18-10-2-4-11(5-3-10)23-14-16-6-9(15)7-17-14/h6-8,10-11H,2-5H2,1H3,(H,18,22)
InChIKeyMPOMMEOIZGKUNV-UHFFFAOYSA-N
XLogP0.86
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]pyridine-2-carboxamide
CID 91626394
N-[4-[[6-cyano-5-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]-1-methyltriazole-4-carboxamide
CID 155218567
2-bromo-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide
CID 90634210
1-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-propan-2-ylurea
CID 90634473
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-pyrrol-1-ylacetamide
CID 91626407
3-(dimethylamino)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide
CID 90634321
2-ethoxy-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]acetamide
CID 91626367
ethyl 2-[[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]amino]-2-oxoacetate
CID 90634183
5-bromo-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]furan-2-carboxamide
CID 91626383
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]morpholine-4-carboxamide
CID 91626436
4-butoxy-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide
CID 90634200
N-[4-(3-bromo-4-cyanophenoxy)cyclohexyl]-1-methyltriazole-4-carboxamide
CID 155218830

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1-methyltriazole-4-carboxamide?
The IUPAC name of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1-methyltriazole-4-carboxamide (CID 90634332) is N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1-methyltriazole-4-carboxamide.
What is the SMILES notation for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1-methyltriazole-4-carboxamide?
The canonical SMILES for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1-methyltriazole-4-carboxamide is Cn1cc(C(=O)NC2CCC(Oc3ncc(F)cn3)CC2)nn1.
What is the InChIKey of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1-methyltriazole-4-carboxamide?
The InChIKey is MPOMMEOIZGKUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN6O2/c1-21-8-12(19-20-21)13(22)18-10-2-4-11(5-3-10)23-14-16-6-9(15)7-17-14/h6-8,10-11H,2-5H2,1H3,(H,18,22).
What are the key properties of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1-methyltriazole-4-carboxamide?
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1-methyltriazole-4-carboxamide has a molecular weight of 320.33 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1-methyltriazole-4-carboxamide is sourced from PubChem (CID 90634332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).