6-N-[(1-propan-2-ylcyclopropyl)methyl]-1H-indazole-5,6-diamine

C14H20N4 — CID 114114758

IUPAC6-N-[(1-propan-2-ylcyclopropyl)methyl]-1H-indazole-5,6-diamine
SMILESCC(C)C1(CNc2cc3[nH]ncc3cc2N)CC1
InChIInChI=1S/C14H20N4/c1-9(2)14(3-4-14)8-16-13-6-12-10(5-11(13)15)7-17-18-12/h5-7,9,16H,3-4,8,15H2,1-2H3,(H,17,18)
InChIKeyUIQGOTSTKXTINN-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.99
Rot. Bonds4

About 6-N-[(1-propan-2-ylcyclopropyl)methyl]-1H-indazole-5,6-diamine

6-N-[(1-propan-2-ylcyclopropyl)methyl]-1H-indazole-5,6-diamine (PubChem CID 114114758) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 6-N-[(1-propan-2-ylcyclopropyl)methyl]-1H-indazole-5,6-diamine.

Molecular Properties

Compound Name6-N-[(1-propan-2-ylcyclopropyl)methyl]-1H-indazole-5,6-diamine
PubChem CID114114758
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name6-N-[(1-propan-2-ylcyclopropyl)methyl]-1H-indazole-5,6-diamine
SMILESCC(C)C1(CNc2cc3[nH]ncc3cc2N)CC1
InChIInChI=1S/C14H20N4/c1-9(2)14(3-4-14)8-16-13-6-12-10(5-11(13)15)7-17-18-12/h5-7,9,16H,3-4,8,15H2,1-2H3,(H,17,18)
InChIKeyUIQGOTSTKXTINN-UHFFFAOYSA-N
XLogP2.99
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.99
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-cyclopropylpropyl)-1H-indazole-5,6-diamine
CID 107490998
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
N-[(1-propan-2-ylcyclopropyl)methyl]-1H-indazole-6-carboxamide
CID 103743848
4-[[(5-amino-1H-indazol-6-yl)amino]methyl]benzonitrile
CID 107489977
6-N-(1-pyrrolidin-1-ylpropan-2-yl)-1H-indazole-5,6-diamine
CID 107489402
4-[[(5-amino-1H-indazol-6-yl)amino]methyl]cyclohexan-1-ol
CID 106120243
3-[(5-amino-1H-indazol-6-yl)amino]-4-methylpentan-1-ol
CID 114176711
6-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indazole-5,6-diamine
CID 114159574
3-[(5-amino-1H-indazol-6-yl)amino]-N-tert-butylpropanamide
CID 107490924
[4-[(5-amino-1H-indazol-6-yl)amino]oxan-4-yl]methanol
CID 106296931

Frequently Asked Questions

What is the IUPAC name of 6-N-[(1-propan-2-ylcyclopropyl)methyl]-1H-indazole-5,6-diamine?
The IUPAC name of 6-N-[(1-propan-2-ylcyclopropyl)methyl]-1H-indazole-5,6-diamine (CID 114114758) is 6-N-[(1-propan-2-ylcyclopropyl)methyl]-1H-indazole-5,6-diamine.
What is the SMILES notation for 6-N-[(1-propan-2-ylcyclopropyl)methyl]-1H-indazole-5,6-diamine?
The canonical SMILES for 6-N-[(1-propan-2-ylcyclopropyl)methyl]-1H-indazole-5,6-diamine is CC(C)C1(CNc2cc3[nH]ncc3cc2N)CC1.
What is the InChIKey of 6-N-[(1-propan-2-ylcyclopropyl)methyl]-1H-indazole-5,6-diamine?
The InChIKey is UIQGOTSTKXTINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-9(2)14(3-4-14)8-16-13-6-12-10(5-11(13)15)7-17-18-12/h5-7,9,16H,3-4,8,15H2,1-2H3,(H,17,18).
What are the key properties of 6-N-[(1-propan-2-ylcyclopropyl)methyl]-1H-indazole-5,6-diamine?
6-N-[(1-propan-2-ylcyclopropyl)methyl]-1H-indazole-5,6-diamine has a molecular weight of 244.34 g/mol, XLogP of 2.99, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(1-propan-2-ylcyclopropyl)methyl]-1H-indazole-5,6-diamine is sourced from PubChem (CID 114114758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).