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

C13H18N4 — CID 107490998

IUPAC6-N-(2-cyclopropylpropyl)-1H-indazole-5,6-diamine
SMILESCC(CNc1cc2[nH]ncc2cc1N)C1CC1
InChIInChI=1S/C13H18N4/c1-8(9-2-3-9)6-15-13-5-12-10(4-11(13)14)7-16-17-12/h4-5,7-9,15H,2-3,6,14H2,1H3,(H,16,17)
InChIKeyILSCFBQKCMGBMK-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.60
Rot. Bonds4

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

6-N-(2-cyclopropylpropyl)-1H-indazole-5,6-diamine (PubChem CID 107490998) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 6-N-(2-cyclopropylpropyl)-1H-indazole-5,6-diamine.

Molecular Properties

Compound Name6-N-(2-cyclopropylpropyl)-1H-indazole-5,6-diamine
PubChem CID107490998
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name6-N-(2-cyclopropylpropyl)-1H-indazole-5,6-diamine
SMILESCC(CNc1cc2[nH]ncc2cc1N)C1CC1
InChIInChI=1S/C13H18N4/c1-8(9-2-3-9)6-15-13-5-12-10(4-11(13)14)7-16-17-12/h4-5,7-9,15H,2-3,6,14H2,1H3,(H,16,17)
InChIKeyILSCFBQKCMGBMK-UHFFFAOYSA-N
XLogP2.60
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.60
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-[(1-propan-2-ylcyclopropyl)methyl]-1H-indazole-5,6-diamine
CID 114114758
4-[[(5-amino-1H-indazol-6-yl)amino]methyl]cyclohexan-1-ol
CID 106120243
6-N-(2-aminoethyl)-1H-indazole-5,6-diamine
CID 107490038
6-N-tert-butyl-1H-indazole-5,6-diamine
CID 107488480
3-[(5-amino-1H-indazol-6-yl)amino]-N-propan-2-ylpropanamide
CID 107490922
6-N-(2,6-dimethylpiperidin-1-yl)-1H-indazole-5,6-diamine
CID 107490807
4-[(5-amino-1H-indazol-6-yl)amino]cyclohexan-1-ol
CID 107488320
6-N-(1-pyrrolidin-1-ylpropan-2-yl)-1H-indazole-5,6-diamine
CID 107489402
3-[(5-amino-1H-indazol-6-yl)amino]-4-methylpentan-1-ol
CID 114176711
6-N-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-indazole-5,6-diamine
CID 107490314
6-N-morpholin-4-yl-1H-indazole-5,6-diamine
CID 107490810
2-[(5-amino-1H-indazol-6-yl)amino]cycloheptan-1-ol
CID 107490875

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-cyclopropylpropyl)-1H-indazole-5,6-diamine?
The IUPAC name of 6-N-(2-cyclopropylpropyl)-1H-indazole-5,6-diamine (CID 107490998) is 6-N-(2-cyclopropylpropyl)-1H-indazole-5,6-diamine.
What is the SMILES notation for 6-N-(2-cyclopropylpropyl)-1H-indazole-5,6-diamine?
The canonical SMILES for 6-N-(2-cyclopropylpropyl)-1H-indazole-5,6-diamine is CC(CNc1cc2[nH]ncc2cc1N)C1CC1.
What is the InChIKey of 6-N-(2-cyclopropylpropyl)-1H-indazole-5,6-diamine?
The InChIKey is ILSCFBQKCMGBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-8(9-2-3-9)6-15-13-5-12-10(4-11(13)14)7-16-17-12/h4-5,7-9,15H,2-3,6,14H2,1H3,(H,16,17).
What are the key properties of 6-N-(2-cyclopropylpropyl)-1H-indazole-5,6-diamine?
6-N-(2-cyclopropylpropyl)-1H-indazole-5,6-diamine has a molecular weight of 230.31 g/mol, XLogP of 2.60, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-cyclopropylpropyl)-1H-indazole-5,6-diamine is sourced from PubChem (CID 107490998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).