N-cyclohexyl-6-(2-hydroxyethylamino)-4-propan-2-ylpyridazine-3-carboxamide

C16H26N4O2 — CID 141463751

IUPACN-cyclohexyl-6-(2-hydroxyethylamino)-4-propan-2-ylpyridazine-3-carboxamide
SMILESCC(C)c1cc(NCCO)nnc1C(=O)NC1CCCCC1
InChIInChI=1S/C16H26N4O2/c1-11(2)13-10-14(17-8-9-21)19-20-15(13)16(22)18-12-6-4-3-5-7-12/h10-12,21H,3-9H2,1-2H3,(H,17,19)(H,18,22)
InChIKeyBMKZBSODBRLHJX-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.07
Rot. Bonds6

About N-cyclohexyl-6-(2-hydroxyethylamino)-4-propan-2-ylpyridazine-3-carboxamide

N-cyclohexyl-6-(2-hydroxyethylamino)-4-propan-2-ylpyridazine-3-carboxamide (PubChem CID 141463751) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-cyclohexyl-6-(2-hydroxyethylamino)-4-propan-2-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-6-(2-hydroxyethylamino)-4-propan-2-ylpyridazine-3-carboxamide
PubChem CID141463751
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC NameN-cyclohexyl-6-(2-hydroxyethylamino)-4-propan-2-ylpyridazine-3-carboxamide
SMILESCC(C)c1cc(NCCO)nnc1C(=O)NC1CCCCC1
InChIInChI=1S/C16H26N4O2/c1-11(2)13-10-14(17-8-9-21)19-20-15(13)16(22)18-12-6-4-3-5-7-12/h10-12,21H,3-9H2,1-2H3,(H,17,19)(H,18,22)
InChIKeyBMKZBSODBRLHJX-UHFFFAOYSA-N
XLogP2.07
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-(2-hydroxyethylamino)-4-propan-2-ylpyridazine-3-carboxamide?
The IUPAC name of N-cyclohexyl-6-(2-hydroxyethylamino)-4-propan-2-ylpyridazine-3-carboxamide (CID 141463751) is N-cyclohexyl-6-(2-hydroxyethylamino)-4-propan-2-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-6-(2-hydroxyethylamino)-4-propan-2-ylpyridazine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-6-(2-hydroxyethylamino)-4-propan-2-ylpyridazine-3-carboxamide is CC(C)c1cc(NCCO)nnc1C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-6-(2-hydroxyethylamino)-4-propan-2-ylpyridazine-3-carboxamide?
The InChIKey is BMKZBSODBRLHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-11(2)13-10-14(17-8-9-21)19-20-15(13)16(22)18-12-6-4-3-5-7-12/h10-12,21H,3-9H2,1-2H3,(H,17,19)(H,18,22).
What are the key properties of N-cyclohexyl-6-(2-hydroxyethylamino)-4-propan-2-ylpyridazine-3-carboxamide?
N-cyclohexyl-6-(2-hydroxyethylamino)-4-propan-2-ylpyridazine-3-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 2.07, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-(2-hydroxyethylamino)-4-propan-2-ylpyridazine-3-carboxamide is sourced from PubChem (CID 141463751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).