N'-[6-(1,2,4-triazol-4-yl)-1H-indazol-4-yl]heptane-1,7-diamine

C16H23N7 — CID 171067030

IUPACN'-[6-(1,2,4-triazol-4-yl)-1H-indazol-4-yl]heptane-1,7-diamine
SMILESNCCCCCCCNc1cc(-n2cnnc2)cc2[nH]ncc12
InChIInChI=1S/C16H23N7/c17-6-4-2-1-3-5-7-18-15-8-13(23-11-20-21-12-23)9-16-14(15)10-19-22-16/h8-12,18H,1-7,17H2,(H,19,22)
InChIKeyUWWUCFKFJXVZMA-UHFFFAOYSA-N
MW313.41 g/mol
LogP2.46
Rot. Bonds9

About N'-[6-(1,2,4-triazol-4-yl)-1H-indazol-4-yl]heptane-1,7-diamine

N'-[6-(1,2,4-triazol-4-yl)-1H-indazol-4-yl]heptane-1,7-diamine (PubChem CID 171067030) has the molecular formula C16H23N7 and a molecular weight of 313.41 g/mol. Its IUPAC name is N'-[6-(1,2,4-triazol-4-yl)-1H-indazol-4-yl]heptane-1,7-diamine.

Molecular Properties

Compound NameN'-[6-(1,2,4-triazol-4-yl)-1H-indazol-4-yl]heptane-1,7-diamine
PubChem CID171067030
Molecular FormulaC16H23N7
Molecular Weight313.41 g/mol
Exact Mass313.20
IUPAC NameN'-[6-(1,2,4-triazol-4-yl)-1H-indazol-4-yl]heptane-1,7-diamine
SMILESNCCCCCCCNc1cc(-n2cnnc2)cc2[nH]ncc12
InChIInChI=1S/C16H23N7/c17-6-4-2-1-3-5-7-18-15-8-13(23-11-20-21-12-23)9-16-14(15)10-19-22-16/h8-12,18H,1-7,17H2,(H,19,22)
InChIKeyUWWUCFKFJXVZMA-UHFFFAOYSA-N
XLogP2.46
TPSA97.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

7-amino-N-[6-(1,2,4-triazol-4-yl)-1H-indazol-4-yl]heptanamide
CID 171067636
4-[1-[6-(1,2,4-triazol-4-yl)-1H-indazol-4-yl]azetidin-3-yl]oxybutan-1-amine
CID 171067404
N'-[6-(oxan-4-yl)-1H-indazol-4-yl]propane-1,3-diamine
CID 171067935
1-[3-chloro-5-[[4-[2-[[6-(1,2,4-triazol-4-yl)-1H-indazol-4-yl]amino]ethoxy]butylamino]methyl]phenyl]cyclopropane-1-carbonitrile
CID 171066772
3-[(3-cyano-4-cyclobutyloxyphenyl)methylamino]-N-[3-[[6-(1,2,4-triazol-4-yl)-1H-indazol-4-yl]amino]propyl]propanamide
CID 171067366
[3-fluoro-5-[[4-[1-[6-(1,2,4-triazol-4-yl)-1H-indazol-4-yl]azetidin-3-yl]oxybutylamino]methyl]phenyl]methanol
CID 171067793
6-N-(2-aminoethyl)-1H-indazole-5,6-diamine
CID 107490038
2-[3-[[4-[2-[[6-(1,2,4-triazol-4-yl)-1H-indazol-4-yl]oxy]ethoxy]butylamino]methyl]-5-(trifluoromethoxy)phenoxy]ethanol
CID 171066822
2-[3-[[4-[1-[6-(1,2,4-triazol-4-yl)-1H-indazol-4-yl]azetidin-3-yl]oxybutylamino]methyl]-5-(trifluoromethoxy)phenyl]acetonitrile
CID 171068069
N'-(5-methylpyridazin-3-yl)hexane-1,6-diamine
CID 107845062
N'-(5-methylpyridazin-3-yl)pentane-1,5-diamine
CID 107323443
N'-(5-cyclohexyl-1H-pyrazol-4-yl)propane-1,3-diamine
CID 117209803

Frequently Asked Questions

What is the IUPAC name of N'-[6-(1,2,4-triazol-4-yl)-1H-indazol-4-yl]heptane-1,7-diamine?
The IUPAC name of N'-[6-(1,2,4-triazol-4-yl)-1H-indazol-4-yl]heptane-1,7-diamine (CID 171067030) is N'-[6-(1,2,4-triazol-4-yl)-1H-indazol-4-yl]heptane-1,7-diamine.
What is the SMILES notation for N'-[6-(1,2,4-triazol-4-yl)-1H-indazol-4-yl]heptane-1,7-diamine?
The canonical SMILES for N'-[6-(1,2,4-triazol-4-yl)-1H-indazol-4-yl]heptane-1,7-diamine is NCCCCCCCNc1cc(-n2cnnc2)cc2[nH]ncc12.
What is the InChIKey of N'-[6-(1,2,4-triazol-4-yl)-1H-indazol-4-yl]heptane-1,7-diamine?
The InChIKey is UWWUCFKFJXVZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7/c17-6-4-2-1-3-5-7-18-15-8-13(23-11-20-21-12-23)9-16-14(15)10-19-22-16/h8-12,18H,1-7,17H2,(H,19,22).
What are the key properties of N'-[6-(1,2,4-triazol-4-yl)-1H-indazol-4-yl]heptane-1,7-diamine?
N'-[6-(1,2,4-triazol-4-yl)-1H-indazol-4-yl]heptane-1,7-diamine has a molecular weight of 313.41 g/mol, XLogP of 2.46, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-(1,2,4-triazol-4-yl)-1H-indazol-4-yl]heptane-1,7-diamine is sourced from PubChem (CID 171067030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).