6-N-(2-phenylcyclopropyl)-1H-indazole-5,6-diamine

C16H16N4 — CID 107489739

IUPAC6-N-(2-phenylcyclopropyl)-1H-indazole-5,6-diamine
SMILESNc1cc2cn[nH]c2cc1NC1CC1c1ccccc1
InChIInChI=1S/C16H16N4/c17-13-6-11-9-18-20-14(11)8-16(13)19-15-7-12(15)10-4-2-1-3-5-10/h1-6,8-9,12,15,19H,7,17H2,(H,18,20)
InChIKeyHXORSBLQBZHQQZ-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.11
Rot. Bonds3

About 6-N-(2-phenylcyclopropyl)-1H-indazole-5,6-diamine

6-N-(2-phenylcyclopropyl)-1H-indazole-5,6-diamine (PubChem CID 107489739) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 6-N-(2-phenylcyclopropyl)-1H-indazole-5,6-diamine.

Molecular Properties

Compound Name6-N-(2-phenylcyclopropyl)-1H-indazole-5,6-diamine
PubChem CID107489739
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name6-N-(2-phenylcyclopropyl)-1H-indazole-5,6-diamine
SMILESNc1cc2cn[nH]c2cc1NC1CC1c1ccccc1
InChIInChI=1S/C16H16N4/c17-13-6-11-9-18-20-14(11)8-16(13)19-15-7-12(15)10-4-2-1-3-5-10/h1-6,8-9,12,15,19H,7,17H2,(H,18,20)
InChIKeyHXORSBLQBZHQQZ-UHFFFAOYSA-N
XLogP3.11
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-N-(2,3-dihydro-1H-inden-2-yl)-1H-indazole-5,6-diamine
CID 107844682
2-[(5-amino-1H-indazol-6-yl)amino]cycloheptan-1-ol
CID 107490875
4-[(5-amino-1H-indazol-6-yl)amino]cyclohexan-1-ol
CID 107488320
4,5-dimethoxy-2-N-(2-phenylcyclopropyl)benzene-1,2-diamine
CID 83004628
4-bromo-5-fluoro-1-N-(2-phenylcyclopropyl)benzene-1,2-diamine
CID 66112498
6-N-(2-aminoethyl)-1H-indazole-5,6-diamine
CID 107490038
6-N-(2,2-dimethylcyclohexyl)-1H-indazole-5,6-diamine
CID 107490640
6-N-(3-phenoxypropyl)-1H-indazole-5,6-diamine
CID 107490023
6-N-(2,6-dimethylpiperidin-1-yl)-1H-indazole-5,6-diamine
CID 107490807
6-N-morpholin-4-yl-1H-indazole-5,6-diamine
CID 107490810
4-[[(5-amino-1H-indazol-6-yl)amino]methyl]cyclohexan-1-ol
CID 106120243
4-N-(2-phenylcyclopropyl)quinoline-4,7-diamine
CID 103000900

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-phenylcyclopropyl)-1H-indazole-5,6-diamine?
The IUPAC name of 6-N-(2-phenylcyclopropyl)-1H-indazole-5,6-diamine (CID 107489739) is 6-N-(2-phenylcyclopropyl)-1H-indazole-5,6-diamine.
What is the SMILES notation for 6-N-(2-phenylcyclopropyl)-1H-indazole-5,6-diamine?
The canonical SMILES for 6-N-(2-phenylcyclopropyl)-1H-indazole-5,6-diamine is Nc1cc2cn[nH]c2cc1NC1CC1c1ccccc1.
What is the InChIKey of 6-N-(2-phenylcyclopropyl)-1H-indazole-5,6-diamine?
The InChIKey is HXORSBLQBZHQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c17-13-6-11-9-18-20-14(11)8-16(13)19-15-7-12(15)10-4-2-1-3-5-10/h1-6,8-9,12,15,19H,7,17H2,(H,18,20).
What are the key properties of 6-N-(2-phenylcyclopropyl)-1H-indazole-5,6-diamine?
6-N-(2-phenylcyclopropyl)-1H-indazole-5,6-diamine has a molecular weight of 264.33 g/mol, XLogP of 3.11, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-phenylcyclopropyl)-1H-indazole-5,6-diamine is sourced from PubChem (CID 107489739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).