N'-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboximidamide

C10H18N6 — CID 111065308

IUPACN'-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboximidamide
SMILESCn1cnnc1C/N=C(\N)N1CCCCC1
InChIInChI=1S/C10H18N6/c1-15-8-13-14-9(15)7-12-10(11)16-5-3-2-4-6-16/h8H,2-7H2,1H3,(H2,11,12)
InChIKeyKIQFUQRNPMTXOU-UHFFFAOYSA-N
MW222.30 g/mol
LogP0.12
Rot. Bonds2

About N'-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboximidamide

N'-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboximidamide (PubChem CID 111065308) has the molecular formula C10H18N6 and a molecular weight of 222.30 g/mol. Its IUPAC name is N'-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboximidamide
PubChem CID111065308
Molecular FormulaC10H18N6
Molecular Weight222.30 g/mol
Exact Mass222.16
IUPAC NameN'-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboximidamide
SMILESCn1cnnc1C/N=C(\N)N1CCCCC1
InChIInChI=1S/C10H18N6/c1-15-8-13-14-9(15)7-12-10(11)16-5-3-2-4-6-16/h8H,2-7H2,1H3,(H2,11,12)
InChIKeyKIQFUQRNPMTXOU-UHFFFAOYSA-N
XLogP0.12
TPSA72.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.30
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N'-[(4-methyl-1,2,4-triazol-3-yl)methyl]propanimidamide
CID 63177133
N'-[(2,5-dimethylpyrazol-3-yl)methyl]azepane-1-carboximidamide;hydroiodide
CID 120913439
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]azepane-1-carboxamide
CID 115584088
1-ethyl-3-(2-methyl-2-piperidin-1-ylpropyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]guanidine
CID 111320572
N'-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 110061873
N'-[(2-ethyl-1,3-oxazol-5-yl)methyl]azepane-1-carboximidamide
CID 122097891
N'-[(4-methylphenyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111026011
1-ethyl-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-propan-2-ylguanidine
CID 111126417
N'-(1H-pyrazol-5-ylmethyl)piperidine-1-carboximidamide
CID 111070206
N'-[(4-phenyl-1,2,4-triazol-3-yl)methyl]thiomorpholine-4-carboximidamide
CID 111066056
4-[[[amino(piperidin-1-yl)methylidene]amino]methyl]-N-methylbenzamide
CID 111048452
N'-[(5-methylthiophen-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111046068

Frequently Asked Questions

What is the IUPAC name of N'-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboximidamide?
The IUPAC name of N'-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboximidamide (CID 111065308) is N'-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboximidamide.
What is the SMILES notation for N'-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboximidamide?
The canonical SMILES for N'-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboximidamide is Cn1cnnc1C/N=C(\N)N1CCCCC1.
What is the InChIKey of N'-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboximidamide?
The InChIKey is KIQFUQRNPMTXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6/c1-15-8-13-14-9(15)7-12-10(11)16-5-3-2-4-6-16/h8H,2-7H2,1H3,(H2,11,12).
What are the key properties of N'-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboximidamide?
N'-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboximidamide has a molecular weight of 222.30 g/mol, XLogP of 0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboximidamide is sourced from PubChem (CID 111065308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).