piperidin-1-yl(1H-1,2,4-triazol-5-yl)methanimine

C8H13N5 — CID 135965159

IUPACpiperidin-1-yl(1H-1,2,4-triazol-5-yl)methanimine
SMILES[H]/N=C(/c1ncn[nH]1)N1CCCCC1
InChIInChI=1S/C8H13N5/c9-7(8-10-6-11-12-8)13-4-2-1-3-5-13/h6,9H,1-5H2,(H,10,11,12)/b9-7-
InChIKeyFNPGAVMBVOAOPL-CLFYSBASSA-N
MW179.23 g/mol
LogP0.62
Rot. Bonds1

About piperidin-1-yl(1H-1,2,4-triazol-5-yl)methanimine

piperidin-1-yl(1H-1,2,4-triazol-5-yl)methanimine (PubChem CID 135965159) has the molecular formula C8H13N5 and a molecular weight of 179.23 g/mol. Its IUPAC name is piperidin-1-yl(1H-1,2,4-triazol-5-yl)methanimine.

Molecular Properties

Compound Namepiperidin-1-yl(1H-1,2,4-triazol-5-yl)methanimine
PubChem CID135965159
Molecular FormulaC8H13N5
Molecular Weight179.23 g/mol
Exact Mass179.12
IUPAC Namepiperidin-1-yl(1H-1,2,4-triazol-5-yl)methanimine
SMILES[H]/N=C(/c1ncn[nH]1)N1CCCCC1
InChIInChI=1S/C8H13N5/c9-7(8-10-6-11-12-8)13-4-2-1-3-5-13/h6,9H,1-5H2,(H,10,11,12)/b9-7-
InChIKeyFNPGAVMBVOAOPL-CLFYSBASSA-N
XLogP0.62
TPSA68.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.23
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(4-methylpiperazin-1-yl)-(1H-1,2,4-triazol-5-yl)methanimine
CID 135965162
N-piperidin-1-yl-1H-1,2,4-triazole-5-carboxamide
CID 83022777
5-(piperidine-1-carboximidoyl)-1H-imidazol-4-amine
CID 135745792
(1-methylpyrazol-4-yl)-piperidin-1-ylmethanimine
CID 65198115
(6-methyl-2-pyridinyl)-piperidin-1-ylmethanimine
CID 63555114
N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-1-carboxamide
CID 78973043
(3,4-dimethoxyphenyl)-piperidin-1-ylmethanimine
CID 63179479
N,N-diethyl-1H-1,2,4-triazole-5-carboximidamide
CID 135965164
(5-methylthiophen-3-yl)-piperidin-1-ylmethanimine
CID 130835239
(4-benzylpiperazin-4-ium-1-yl)-(1H-1,2,4-triazol-5-yl)methanone
CID 4133383
piperidin-1-yl-[4-(7H-purin-6-yl)-2,3-dihydro-1,4-thiazin-6-yl]methanimine
CID 176678205
2-nitro-4-(pyrrolidine-1-carboximidoyl)phenol
CID 135965167

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl(1H-1,2,4-triazol-5-yl)methanimine?
The IUPAC name of piperidin-1-yl(1H-1,2,4-triazol-5-yl)methanimine (CID 135965159) is piperidin-1-yl(1H-1,2,4-triazol-5-yl)methanimine.
What is the SMILES notation for piperidin-1-yl(1H-1,2,4-triazol-5-yl)methanimine?
The canonical SMILES for piperidin-1-yl(1H-1,2,4-triazol-5-yl)methanimine is [H]/N=C(/c1ncn[nH]1)N1CCCCC1.
What is the InChIKey of piperidin-1-yl(1H-1,2,4-triazol-5-yl)methanimine?
The InChIKey is FNPGAVMBVOAOPL-CLFYSBASSA-N. The full InChI is InChI=1S/C8H13N5/c9-7(8-10-6-11-12-8)13-4-2-1-3-5-13/h6,9H,1-5H2,(H,10,11,12)/b9-7-.
What are the key properties of piperidin-1-yl(1H-1,2,4-triazol-5-yl)methanimine?
piperidin-1-yl(1H-1,2,4-triazol-5-yl)methanimine has a molecular weight of 179.23 g/mol, XLogP of 0.62, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl(1H-1,2,4-triazol-5-yl)methanimine is sourced from PubChem (CID 135965159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).