1-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-3-[4-(1H-1,2,4-triazol-5-yl)cyclohexyl]urea

C16H20N8O — CID 167856211

IUPAC1-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-3-[4-(1H-1,2,4-triazol-5-yl)cyclohexyl]urea
SMILESCc1cc2ncc(NC(=O)NC3CCC(c4ncn[nH]4)CC3)cn2n1
InChIInChI=1S/C16H20N8O/c1-10-6-14-17-7-13(8-24(14)23-10)21-16(25)20-12-4-2-11(3-5-12)15-18-9-19-22-15/h6-9,11-12H,2-5H2,1H3,(H,18,19,22)(H2,20,21,25)
InChIKeyUVKINPJFYIKUJY-UHFFFAOYSA-N
MW340.39 g/mol
LogP2.00
Rot. Bonds3

About 1-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-3-[4-(1H-1,2,4-triazol-5-yl)cyclohexyl]urea

1-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-3-[4-(1H-1,2,4-triazol-5-yl)cyclohexyl]urea (PubChem CID 167856211) has the molecular formula C16H20N8O and a molecular weight of 340.39 g/mol. Its IUPAC name is 1-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-3-[4-(1H-1,2,4-triazol-5-yl)cyclohexyl]urea.

Molecular Properties

Compound Name1-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-3-[4-(1H-1,2,4-triazol-5-yl)cyclohexyl]urea
PubChem CID167856211
Molecular FormulaC16H20N8O
Molecular Weight340.39 g/mol
Exact Mass340.18
IUPAC Name1-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-3-[4-(1H-1,2,4-triazol-5-yl)cyclohexyl]urea
SMILESCc1cc2ncc(NC(=O)NC3CCC(c4ncn[nH]4)CC3)cn2n1
InChIInChI=1S/C16H20N8O/c1-10-6-14-17-7-13(8-24(14)23-10)21-16(25)20-12-4-2-11(3-5-12)15-18-9-19-22-15/h6-9,11-12H,2-5H2,1H3,(H,18,19,22)(H2,20,21,25)
InChIKeyUVKINPJFYIKUJY-UHFFFAOYSA-N
XLogP2.00
TPSA112.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1,3-thiazol-2-yl)-3-[4-(1H-1,2,4-triazol-5-yl)cyclohexyl]urea
CID 154871139
1-cyclopropyl-3-(2-cyclopropylpyrimidin-5-yl)urea
CID 71933502
1-cyclobutyl-3-(1-methylpyrazol-4-yl)urea
CID 115617906
N-(cyclopentylcarbamoyl)-2-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]propanamide
CID 75424924
1-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)urea
CID 115581841
1-cyclopropyl-3-pyrimidin-5-ylurea
CID 104859363
4-[(2-methylpyrimidin-5-yl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122079348
1-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3-(4-fluorophenyl)urea
CID 90634951
1-(1-cyclopentyl-2-pyridin-3-ylethyl)-3-[4-(1H-1,2,4-triazol-5-yl)cyclohexyl]urea
CID 166288440
1-cyclopropyl-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea
CID 103912459
1-cyclobutyl-3-[4-(1H-pyrazol-5-yl)phenyl]urea
CID 115645017
1-cyclopropyl-3-(6-ethoxy-3-pyridinyl)urea
CID 115687753

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-3-[4-(1H-1,2,4-triazol-5-yl)cyclohexyl]urea?
The IUPAC name of 1-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-3-[4-(1H-1,2,4-triazol-5-yl)cyclohexyl]urea (CID 167856211) is 1-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-3-[4-(1H-1,2,4-triazol-5-yl)cyclohexyl]urea.
What is the SMILES notation for 1-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-3-[4-(1H-1,2,4-triazol-5-yl)cyclohexyl]urea?
The canonical SMILES for 1-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-3-[4-(1H-1,2,4-triazol-5-yl)cyclohexyl]urea is Cc1cc2ncc(NC(=O)NC3CCC(c4ncn[nH]4)CC3)cn2n1.
What is the InChIKey of 1-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-3-[4-(1H-1,2,4-triazol-5-yl)cyclohexyl]urea?
The InChIKey is UVKINPJFYIKUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N8O/c1-10-6-14-17-7-13(8-24(14)23-10)21-16(25)20-12-4-2-11(3-5-12)15-18-9-19-22-15/h6-9,11-12H,2-5H2,1H3,(H,18,19,22)(H2,20,21,25).
What are the key properties of 1-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-3-[4-(1H-1,2,4-triazol-5-yl)cyclohexyl]urea?
1-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-3-[4-(1H-1,2,4-triazol-5-yl)cyclohexyl]urea has a molecular weight of 340.39 g/mol, XLogP of 2.00, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-3-[4-(1H-1,2,4-triazol-5-yl)cyclohexyl]urea is sourced from PubChem (CID 167856211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).