[1-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]triazol-4-yl]methylurea

C14H20N8O — CID 28784640

IUPAC[1-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]triazol-4-yl]methylurea
SMILESNC(=O)NCc1cn(CC2CCN(c3cnccn3)CC2)nn1
InChIInChI=1S/C14H20N8O/c15-14(23)18-7-12-10-22(20-19-12)9-11-1-5-21(6-2-11)13-8-16-3-4-17-13/h3-4,8,10-11H,1-2,5-7,9H2,(H3,15,18,23)
InChIKeyBOFNGEXZDKHXIN-UHFFFAOYSA-N
MW316.37 g/mol
LogP0.15
Rot. Bonds5

About [1-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]triazol-4-yl]methylurea

[1-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]triazol-4-yl]methylurea (PubChem CID 28784640) has the molecular formula C14H20N8O and a molecular weight of 316.37 g/mol. Its IUPAC name is [1-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]triazol-4-yl]methylurea.

Molecular Properties

Compound Name[1-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]triazol-4-yl]methylurea
PubChem CID28784640
Molecular FormulaC14H20N8O
Molecular Weight316.37 g/mol
Exact Mass316.18
IUPAC Name[1-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]triazol-4-yl]methylurea
SMILESNC(=O)NCc1cn(CC2CCN(c3cnccn3)CC2)nn1
InChIInChI=1S/C14H20N8O/c15-14(23)18-7-12-10-22(20-19-12)9-11-1-5-21(6-2-11)13-8-16-3-4-17-13/h3-4,8,10-11H,1-2,5-7,9H2,(H3,15,18,23)
InChIKeyBOFNGEXZDKHXIN-UHFFFAOYSA-N
XLogP0.15
TPSA114.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2-aminoethyl)-N-(1-pyrazin-2-ylpiperidin-3-yl)-1H-1,2,3-triazole-4-carboxamide
CID 70704743
[1-[1-(3-Methylpyrazin-2-yl)piperidin-4-yl]triazol-4-yl]methylurea;2,2,2-trifluoroacetic acid
CID 154888462
[1-[(1-Pyrazin-2-ylpiperidin-4-yl)methyl]triazol-4-yl]methylurea;2,2,2-trifluoroacetic acid
CID 154890115
4-[[1-[[1-(3-Methylpyrazin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]methyl]piperazin-2-one
CID 30956850
N-isobutyl-1-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]-1H-1,2,3-triazole-4-carboxamide
CID 56711595
N-((1-(3-cyanopyrazin-2-yl)piperidin-4-yl)methyl)-1-methyl-1H-1,2,3-triazole-4-carboxamide
CID 76145941
N-[[3-(4-amino-4-methylpiperidin-1-yl)-5-methylpyrazin-2-yl]methyl]formamide
CID 142403854
N-({1-[1-(3-methyl-2-pyrazinyl)-4-piperidinyl]-1H-1,2,3-triazol-4-yl}methyl)urea trifluoroacetate
CID 28133479
3-[4-({4-[(methylamino)methyl]-1H-1,2,3-triazol-1-yl}methyl)-1-piperidinyl]-2-pyrazinecarbonitrile
CID 29151773
4-[[1-[[(3R)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]triazol-4-yl]methyl]piperazin-2-one
CID 30921455
4-[[1-[[(3S)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]triazol-4-yl]methyl]piperazin-2-one
CID 30921459
1-[(1-{[1-(3,6-dimethyl-2-pyrazinyl)-4-piperidinyl]methyl}-1H-1,2,3-triazol-4-yl)methyl]-4-piperidinamine bis(trifluoroacetate)
CID 31004832

Frequently Asked Questions

What is the IUPAC name of [1-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]triazol-4-yl]methylurea?
The IUPAC name of [1-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]triazol-4-yl]methylurea (CID 28784640) is [1-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]triazol-4-yl]methylurea.
What is the SMILES notation for [1-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]triazol-4-yl]methylurea?
The canonical SMILES for [1-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]triazol-4-yl]methylurea is NC(=O)NCc1cn(CC2CCN(c3cnccn3)CC2)nn1.
What is the InChIKey of [1-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]triazol-4-yl]methylurea?
The InChIKey is BOFNGEXZDKHXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N8O/c15-14(23)18-7-12-10-22(20-19-12)9-11-1-5-21(6-2-11)13-8-16-3-4-17-13/h3-4,8,10-11H,1-2,5-7,9H2,(H3,15,18,23).
What are the key properties of [1-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]triazol-4-yl]methylurea?
[1-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]triazol-4-yl]methylurea has a molecular weight of 316.37 g/mol, XLogP of 0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]triazol-4-yl]methylurea is sourced from PubChem (CID 28784640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).