[4-(2-methyl-1H-indol-3-yl)pyrimidin-2-yl]hydrazine

C13H13N5 — CID 116904148

IUPAC[4-(2-methyl-1H-indol-3-yl)pyrimidin-2-yl]hydrazine
SMILESCc1[nH]c2ccccc2c1-c1ccnc(NN)n1
InChIInChI=1S/C13H13N5/c1-8-12(9-4-2-3-5-10(9)16-8)11-6-7-15-13(17-11)18-14/h2-7,16H,14H2,1H3,(H,15,17,18)
InChIKeyKFPKECWVNBBWFJ-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.22
Rot. Bonds2

About [4-(2-methyl-1H-indol-3-yl)pyrimidin-2-yl]hydrazine

[4-(2-methyl-1H-indol-3-yl)pyrimidin-2-yl]hydrazine (PubChem CID 116904148) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is [4-(2-methyl-1H-indol-3-yl)pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(2-methyl-1H-indol-3-yl)pyrimidin-2-yl]hydrazine
PubChem CID116904148
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC Name[4-(2-methyl-1H-indol-3-yl)pyrimidin-2-yl]hydrazine
SMILESCc1[nH]c2ccccc2c1-c1ccnc(NN)n1
InChIInChI=1S/C13H13N5/c1-8-12(9-4-2-3-5-10(9)16-8)11-6-7-15-13(17-11)18-14/h2-7,16H,14H2,1H3,(H,15,17,18)
InChIKeyKFPKECWVNBBWFJ-UHFFFAOYSA-N
XLogP2.22
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(2-methyl-1H-indol-3-yl)pyrimidin-2-yl]hydrazine?
The IUPAC name of [4-(2-methyl-1H-indol-3-yl)pyrimidin-2-yl]hydrazine (CID 116904148) is [4-(2-methyl-1H-indol-3-yl)pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-(2-methyl-1H-indol-3-yl)pyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-(2-methyl-1H-indol-3-yl)pyrimidin-2-yl]hydrazine is Cc1[nH]c2ccccc2c1-c1ccnc(NN)n1.
What is the InChIKey of [4-(2-methyl-1H-indol-3-yl)pyrimidin-2-yl]hydrazine?
The InChIKey is KFPKECWVNBBWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c1-8-12(9-4-2-3-5-10(9)16-8)11-6-7-15-13(17-11)18-14/h2-7,16H,14H2,1H3,(H,15,17,18).
What are the key properties of [4-(2-methyl-1H-indol-3-yl)pyrimidin-2-yl]hydrazine?
[4-(2-methyl-1H-indol-3-yl)pyrimidin-2-yl]hydrazine has a molecular weight of 239.28 g/mol, XLogP of 2.22, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methyl-1H-indol-3-yl)pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 116904148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).