beryllium;1-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-3-phenylurea;hydride

C14H19BeN7O — CID 163467523

IUPACberyllium;1-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-3-phenylurea;hydride
SMILESNc1nc(N2CCC(NC(=O)Nc3cc[c-]cc3)CC2)n[nH]1.[Be+2].[H-]
InChIInChI=1S/C14H18N7O.Be.H/c15-12-18-13(20-19-12)21-8-6-11(7-9-21)17-14(22)16-10-4-2-1-3-5-10;;/h2-5,11H,6-9H2,(H2,16,17,22)(H3,15,18,19,20);;/q-1;+2;-1
InChIKeyDWRYPRBIJALEQF-UHFFFAOYSA-N
MW310.37 g/mol
LogP0.71
Rot. Bonds3

About beryllium;1-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-3-phenylurea;hydride

beryllium;1-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-3-phenylurea;hydride (PubChem CID 163467523) has the molecular formula C14H19BeN7O and a molecular weight of 310.37 g/mol. Its IUPAC name is beryllium;1-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-3-phenylurea;hydride.

Molecular Properties

Compound Nameberyllium;1-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-3-phenylurea;hydride
PubChem CID163467523
Molecular FormulaC14H19BeN7O
Molecular Weight310.37 g/mol
Exact Mass310.18
IUPAC Nameberyllium;1-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-3-phenylurea;hydride
SMILESNc1nc(N2CCC(NC(=O)Nc3cc[c-]cc3)CC2)n[nH]1.[Be+2].[H-]
InChIInChI=1S/C14H18N7O.Be.H/c15-12-18-13(20-19-12)21-8-6-11(7-9-21)17-14(22)16-10-4-2-1-3-5-10;;/h2-5,11H,6-9H2,(H2,16,17,22)(H3,15,18,19,20);;/q-1;+2;-1
InChIKeyDWRYPRBIJALEQF-UHFFFAOYSA-N
XLogP0.71
TPSA111.96 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 50.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-3-(2,4,5-trichlorophenyl)urea
CID 118165429
N-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-5-cyano-6-methylpyridine-2-carboxamide
CID 154783190
N-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]imidazo[1,2-a]pyrazine-2-carboxamide
CID 166379619
1-(4-aminophenyl)-3-cyclopropylurea
CID 25324133
1-[4-[[4-(4-aminopyrimidin-2-yl)piperazin-1-yl]methyl]phenyl]-3-cyclopentylurea
CID 122549706
3-[4-[[(3,4-dichlorophenyl)methylamino]methyl]piperidin-1-yl]-1H-1,2,4-triazol-5-amine;dihydrochloride
CID 122602571
1-(4-chlorophenyl)-3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]urea
CID 90597446
1-(4-chlorophenyl)-3-[1-(oxan-4-yl)piperidin-4-yl]urea
CID 94862524
1-[4-(cyanomethoxy)phenyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
CID 55695844
1-(4-chlorophenyl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
CID 90621421
1-(3-amino-4-chlorophenyl)-3-cyclohexylurea
CID 16776834
1-(4-chlorophenyl)-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea
CID 47049584

Frequently Asked Questions

What is the IUPAC name of beryllium;1-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-3-phenylurea;hydride?
The IUPAC name of beryllium;1-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-3-phenylurea;hydride (CID 163467523) is beryllium;1-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-3-phenylurea;hydride.
What is the SMILES notation for beryllium;1-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-3-phenylurea;hydride?
The canonical SMILES for beryllium;1-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-3-phenylurea;hydride is Nc1nc(N2CCC(NC(=O)Nc3cc[c-]cc3)CC2)n[nH]1.[Be+2].[H-].
What is the InChIKey of beryllium;1-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-3-phenylurea;hydride?
The InChIKey is DWRYPRBIJALEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N7O.Be.H/c15-12-18-13(20-19-12)21-8-6-11(7-9-21)17-14(22)16-10-4-2-1-3-5-10;;/h2-5,11H,6-9H2,(H2,16,17,22)(H3,15,18,19,20);;/q-1;+2;-1.
What are the key properties of beryllium;1-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-3-phenylurea;hydride?
beryllium;1-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-3-phenylurea;hydride has a molecular weight of 310.37 g/mol, XLogP of 0.71, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for beryllium;1-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-3-phenylurea;hydride is sourced from PubChem (CID 163467523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).