N-(6-methylpyrimidin-4-yl)-4,5,6,7-tetrahydro-1H-indazol-5-amine

C12H15N5 — CID 133314472

IUPACN-(6-methylpyrimidin-4-yl)-4,5,6,7-tetrahydro-1H-indazol-5-amine
SMILESCc1cc(NC2CCc3[nH]ncc3C2)ncn1
InChIInChI=1S/C12H15N5/c1-8-4-12(14-7-13-8)16-10-2-3-11-9(5-10)6-15-17-11/h4,6-7,10H,2-3,5H2,1H3,(H,15,17)(H,13,14,16)
InChIKeyVDVFMONDZOVWQD-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.48
Rot. Bonds2

About N-(6-methylpyrimidin-4-yl)-4,5,6,7-tetrahydro-1H-indazol-5-amine

N-(6-methylpyrimidin-4-yl)-4,5,6,7-tetrahydro-1H-indazol-5-amine (PubChem CID 133314472) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is N-(6-methylpyrimidin-4-yl)-4,5,6,7-tetrahydro-1H-indazol-5-amine.

Molecular Properties

Compound NameN-(6-methylpyrimidin-4-yl)-4,5,6,7-tetrahydro-1H-indazol-5-amine
PubChem CID133314472
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC NameN-(6-methylpyrimidin-4-yl)-4,5,6,7-tetrahydro-1H-indazol-5-amine
SMILESCc1cc(NC2CCc3[nH]ncc3C2)ncn1
InChIInChI=1S/C12H15N5/c1-8-4-12(14-7-13-8)16-10-2-3-11-9(5-10)6-15-17-11/h4,6-7,10H,2-3,5H2,1H3,(H,15,17)(H,13,14,16)
InChIKeyVDVFMONDZOVWQD-UHFFFAOYSA-N
XLogP1.48
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-methylpyrimidin-4-yl)-4,5,6,7-tetrahydro-1H-indazol-5-amine?
The IUPAC name of N-(6-methylpyrimidin-4-yl)-4,5,6,7-tetrahydro-1H-indazol-5-amine (CID 133314472) is N-(6-methylpyrimidin-4-yl)-4,5,6,7-tetrahydro-1H-indazol-5-amine.
What is the SMILES notation for N-(6-methylpyrimidin-4-yl)-4,5,6,7-tetrahydro-1H-indazol-5-amine?
The canonical SMILES for N-(6-methylpyrimidin-4-yl)-4,5,6,7-tetrahydro-1H-indazol-5-amine is Cc1cc(NC2CCc3[nH]ncc3C2)ncn1.
What is the InChIKey of N-(6-methylpyrimidin-4-yl)-4,5,6,7-tetrahydro-1H-indazol-5-amine?
The InChIKey is VDVFMONDZOVWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c1-8-4-12(14-7-13-8)16-10-2-3-11-9(5-10)6-15-17-11/h4,6-7,10H,2-3,5H2,1H3,(H,15,17)(H,13,14,16).
What are the key properties of N-(6-methylpyrimidin-4-yl)-4,5,6,7-tetrahydro-1H-indazol-5-amine?
N-(6-methylpyrimidin-4-yl)-4,5,6,7-tetrahydro-1H-indazol-5-amine has a molecular weight of 229.29 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylpyrimidin-4-yl)-4,5,6,7-tetrahydro-1H-indazol-5-amine is sourced from PubChem (CID 133314472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).