N-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-pyrazol-1-ylbutanamide

C13H20N8O — CID 72840622

IUPACN-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-pyrazol-1-ylbutanamide
SMILESCCC(C(=O)NCc1nc(N)nc(N(C)C)n1)n1cccn1
InChIInChI=1S/C13H20N8O/c1-4-9(21-7-5-6-16-21)11(22)15-8-10-17-12(14)19-13(18-10)20(2)3/h5-7,9H,4,8H2,1-3H3,(H,15,22)(H2,14,17,18,19)
InChIKeyTYGJVTDRIPUGBY-UHFFFAOYSA-N
MW304.36 g/mol
LogP-0.02
Rot. Bonds6

About N-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-pyrazol-1-ylbutanamide

N-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-pyrazol-1-ylbutanamide (PubChem CID 72840622) has the molecular formula C13H20N8O and a molecular weight of 304.36 g/mol. Its IUPAC name is N-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-pyrazol-1-ylbutanamide.

Molecular Properties

Compound NameN-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-pyrazol-1-ylbutanamide
PubChem CID72840622
Molecular FormulaC13H20N8O
Molecular Weight304.36 g/mol
Exact Mass304.18
IUPAC NameN-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-pyrazol-1-ylbutanamide
SMILESCCC(C(=O)NCc1nc(N)nc(N(C)C)n1)n1cccn1
InChIInChI=1S/C13H20N8O/c1-4-9(21-7-5-6-16-21)11(22)15-8-10-17-12(14)19-13(18-10)20(2)3/h5-7,9H,4,8H2,1-3H3,(H,15,22)(H2,14,17,18,19)
InChIKeyTYGJVTDRIPUGBY-UHFFFAOYSA-N
XLogP-0.02
TPSA114.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-pyrazol-1-ylbutanamide with MolForge

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Related Compounds

5-[[[(2S)-2-pyrazol-1-ylbutanoyl]amino]methyl]-1,2,4-oxadiazole-3-carboxamide
CID 124843027
(2R)-2-pyrazol-1-yl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]butanamide
CID 97156398
(2S)-N-[(2-ethoxy-3-pyridinyl)methyl]-2-pyrazol-1-ylbutanamide
CID 97151638
N-methyl-5-[[[(2S)-2-pyrazol-1-ylbutanoyl]amino]methyl]-1,2,4-oxadiazole-3-carboxamide
CID 97131726
(2R)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-pyrazol-1-ylbutanamide
CID 97133199
(2R)-2-pyrazol-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)butanamide
CID 97144566
(2R)-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-pyrazol-1-ylbutanamide
CID 97149299
(2R)-N-[(3-methyl-1-benzofuran-2-yl)methyl]-2-pyrazol-1-ylbutanamide
CID 97112822
(2S)-N-[(3-methyl-1-benzofuran-2-yl)methyl]-2-pyrazol-1-ylbutanamide
CID 97112821
(2R)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-pyrazol-1-ylbutanamide
CID 97148644
(2S)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrazol-1-ylbutanamide
CID 97145040
N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2-pyrazol-1-ylbutanamide
CID 118782127

Frequently Asked Questions

What is the IUPAC name of N-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-pyrazol-1-ylbutanamide?
The IUPAC name of N-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-pyrazol-1-ylbutanamide (CID 72840622) is N-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-pyrazol-1-ylbutanamide.
What is the SMILES notation for N-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-pyrazol-1-ylbutanamide?
The canonical SMILES for N-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-pyrazol-1-ylbutanamide is CCC(C(=O)NCc1nc(N)nc(N(C)C)n1)n1cccn1.
What is the InChIKey of N-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-pyrazol-1-ylbutanamide?
The InChIKey is TYGJVTDRIPUGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N8O/c1-4-9(21-7-5-6-16-21)11(22)15-8-10-17-12(14)19-13(18-10)20(2)3/h5-7,9H,4,8H2,1-3H3,(H,15,22)(H2,14,17,18,19).
What are the key properties of N-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-pyrazol-1-ylbutanamide?
N-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-pyrazol-1-ylbutanamide has a molecular weight of 304.36 g/mol, XLogP of -0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-pyrazol-1-ylbutanamide is sourced from PubChem (CID 72840622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).