N-amino-N'-cyclopentyl-1-methylindazole-3-carboximidamide

C14H19N5 — CID 103122177

IUPACN-amino-N'-cyclopentyl-1-methylindazole-3-carboximidamide
SMILESCn1nc(/C(=N/C2CCCC2)NN)c2ccccc21
InChIInChI=1S/C14H19N5/c1-19-12-9-5-4-8-11(12)13(18-19)14(17-15)16-10-6-2-3-7-10/h4-5,8-10H,2-3,6-7,15H2,1H3,(H,16,17)
InChIKeyWIAVYSGWGACJHM-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.73
Rot. Bonds2

About N-amino-N'-cyclopentyl-1-methylindazole-3-carboximidamide

N-amino-N'-cyclopentyl-1-methylindazole-3-carboximidamide (PubChem CID 103122177) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is N-amino-N'-cyclopentyl-1-methylindazole-3-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-cyclopentyl-1-methylindazole-3-carboximidamide
PubChem CID103122177
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC NameN-amino-N'-cyclopentyl-1-methylindazole-3-carboximidamide
SMILESCn1nc(/C(=N/C2CCCC2)NN)c2ccccc21
InChIInChI=1S/C14H19N5/c1-19-12-9-5-4-8-11(12)13(18-19)14(17-15)16-10-6-2-3-7-10/h4-5,8-10H,2-3,6-7,15H2,1H3,(H,16,17)
InChIKeyWIAVYSGWGACJHM-UHFFFAOYSA-N
XLogP1.73
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-amino-N'-cyclopentyl-1-methylindazole-3-carboximidamide?
The IUPAC name of N-amino-N'-cyclopentyl-1-methylindazole-3-carboximidamide (CID 103122177) is N-amino-N'-cyclopentyl-1-methylindazole-3-carboximidamide.
What is the SMILES notation for N-amino-N'-cyclopentyl-1-methylindazole-3-carboximidamide?
The canonical SMILES for N-amino-N'-cyclopentyl-1-methylindazole-3-carboximidamide is Cn1nc(/C(=N/C2CCCC2)NN)c2ccccc21.
What is the InChIKey of N-amino-N'-cyclopentyl-1-methylindazole-3-carboximidamide?
The InChIKey is WIAVYSGWGACJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-19-12-9-5-4-8-11(12)13(18-19)14(17-15)16-10-6-2-3-7-10/h4-5,8-10H,2-3,6-7,15H2,1H3,(H,16,17).
What are the key properties of N-amino-N'-cyclopentyl-1-methylindazole-3-carboximidamide?
N-amino-N'-cyclopentyl-1-methylindazole-3-carboximidamide has a molecular weight of 257.34 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-cyclopentyl-1-methylindazole-3-carboximidamide is sourced from PubChem (CID 103122177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).