6-(1-aminohexan-2-ylamino)-N-methylpyridazine-3-carboxamide

C12H21N5O — CID 80697257

IUPAC6-(1-aminohexan-2-ylamino)-N-methylpyridazine-3-carboxamide
SMILESCCCCC(CN)Nc1ccc(C(=O)NC)nn1
InChIInChI=1S/C12H21N5O/c1-3-4-5-9(8-13)15-11-7-6-10(16-17-11)12(18)14-2/h6-7,9H,3-5,8,13H2,1-2H3,(H,14,18)(H,15,17)
InChIKeyVHAGJSUVYDWMHI-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.77
Rot. Bonds7

About 6-(1-aminohexan-2-ylamino)-N-methylpyridazine-3-carboxamide

6-(1-aminohexan-2-ylamino)-N-methylpyridazine-3-carboxamide (PubChem CID 80697257) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 6-(1-aminohexan-2-ylamino)-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(1-aminohexan-2-ylamino)-N-methylpyridazine-3-carboxamide
PubChem CID80697257
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name6-(1-aminohexan-2-ylamino)-N-methylpyridazine-3-carboxamide
SMILESCCCCC(CN)Nc1ccc(C(=O)NC)nn1
InChIInChI=1S/C12H21N5O/c1-3-4-5-9(8-13)15-11-7-6-10(16-17-11)12(18)14-2/h6-7,9H,3-5,8,13H2,1-2H3,(H,14,18)(H,15,17)
InChIKeyVHAGJSUVYDWMHI-UHFFFAOYSA-N
XLogP0.77
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-[[(2R)-1-hydroxybutan-2-yl]amino]-N-methylpyridazine-3-carboxamide
CID 133434733
methyl 6-(1-aminopentan-2-ylamino)pyridazine-3-carboxylate
CID 65192484
N-methyl-6-(6-methylheptan-2-ylamino)pyridazine-3-carboxamide
CID 79207194
6-(ethylamino)-N-octan-4-ylpyridazine-3-carboxamide
CID 106027867
6-(3-butoxypropylamino)-N-methylpyridazine-3-carboxamide
CID 115669013
N-octan-4-yl-6-(propylamino)pyridazine-3-carboxamide
CID 106027845
4-(1-aminohexan-2-ylamino)benzamide
CID 80698151
N-methyl-6-(1-pyridin-4-ylpropylamino)pyridazine-3-carboxamide
CID 133340260
2-N-(6-chloropyridazin-3-yl)pentane-1,2-diamine
CID 65192529
(2S)-2-[(6-methoxycarbonylpyridazin-3-yl)amino]hexanoic acid
CID 122063002
6-[(1-methoxy-3-methylbutan-2-yl)amino]-N-methylpyridazine-3-carboxamide
CID 79214306
6-[(5-hydroxy-4-methylpentyl)amino]-N-methylpyridazine-3-carboxamide
CID 103858516

Frequently Asked Questions

What is the IUPAC name of 6-(1-aminohexan-2-ylamino)-N-methylpyridazine-3-carboxamide?
The IUPAC name of 6-(1-aminohexan-2-ylamino)-N-methylpyridazine-3-carboxamide (CID 80697257) is 6-(1-aminohexan-2-ylamino)-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 6-(1-aminohexan-2-ylamino)-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 6-(1-aminohexan-2-ylamino)-N-methylpyridazine-3-carboxamide is CCCCC(CN)Nc1ccc(C(=O)NC)nn1.
What is the InChIKey of 6-(1-aminohexan-2-ylamino)-N-methylpyridazine-3-carboxamide?
The InChIKey is VHAGJSUVYDWMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-3-4-5-9(8-13)15-11-7-6-10(16-17-11)12(18)14-2/h6-7,9H,3-5,8,13H2,1-2H3,(H,14,18)(H,15,17).
What are the key properties of 6-(1-aminohexan-2-ylamino)-N-methylpyridazine-3-carboxamide?
6-(1-aminohexan-2-ylamino)-N-methylpyridazine-3-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 0.77, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-aminohexan-2-ylamino)-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 80697257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).