2-N-[4-(dimethylamino)butyl]-4-N-methyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine

C13H22N8 — CID 80796786

IUPAC2-N-[4-(dimethylamino)butyl]-4-N-methyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(NCCCCN(C)C)nc(-n2cccn2)n1
InChIInChI=1S/C13H22N8/c1-14-11-17-12(15-7-4-5-9-20(2)3)19-13(18-11)21-10-6-8-16-21/h6,8,10H,4-5,7,9H2,1-3H3,(H2,14,15,17,18,19)
InChIKeyJWGDIPDPUBRTJE-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.85
Rot. Bonds8

About 2-N-[4-(dimethylamino)butyl]-4-N-methyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine

2-N-[4-(dimethylamino)butyl]-4-N-methyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 80796786) has the molecular formula C13H22N8 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-N-[4-(dimethylamino)butyl]-4-N-methyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[4-(dimethylamino)butyl]-4-N-methyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID80796786
Molecular FormulaC13H22N8
Molecular Weight290.37 g/mol
Exact Mass290.20
IUPAC Name2-N-[4-(dimethylamino)butyl]-4-N-methyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(NCCCCN(C)C)nc(-n2cccn2)n1
InChIInChI=1S/C13H22N8/c1-14-11-17-12(15-7-4-5-9-20(2)3)19-13(18-11)21-10-6-8-16-21/h6,8,10H,4-5,7,9H2,1-3H3,(H2,14,15,17,18,19)
InChIKeyJWGDIPDPUBRTJE-UHFFFAOYSA-N
XLogP0.85
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-N-[4-(dimethylamino)butyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80816586
4-N-[2-(dimethylamino)ethyl]-2-N,4-N-dimethyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80846043
2-N-[2-(dimethylamino)ethyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80770186
2-N-[1-(dimethylamino)propan-2-yl]-4-N-methyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 82949897
4-N-methyl-6-pyrazol-1-yl-2-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,5-triazine-2,4-diamine
CID 106434069
2-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]ethanesulfonamide
CID 80786835
2-N-butyl-4-N-ethyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80785977
4-N-[4-(dimethylamino)butyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80816587
5-[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]pentan-1-ol
CID 107324134
4-N-methyl-6-pyrazol-1-yl-2-N-(2-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80772976
4-N-methyl-6-pyrazol-1-yl-2-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 80813787
4-[3-(dimethylamino)propoxy]-N-ethyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80879429

Frequently Asked Questions

What is the IUPAC name of 2-N-[4-(dimethylamino)butyl]-4-N-methyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[4-(dimethylamino)butyl]-4-N-methyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine (CID 80796786) is 2-N-[4-(dimethylamino)butyl]-4-N-methyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[4-(dimethylamino)butyl]-4-N-methyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[4-(dimethylamino)butyl]-4-N-methyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine is CNc1nc(NCCCCN(C)C)nc(-n2cccn2)n1.
What is the InChIKey of 2-N-[4-(dimethylamino)butyl]-4-N-methyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is JWGDIPDPUBRTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N8/c1-14-11-17-12(15-7-4-5-9-20(2)3)19-13(18-11)21-10-6-8-16-21/h6,8,10H,4-5,7,9H2,1-3H3,(H2,14,15,17,18,19).
What are the key properties of 2-N-[4-(dimethylamino)butyl]-4-N-methyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
2-N-[4-(dimethylamino)butyl]-4-N-methyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 290.37 g/mol, XLogP of 0.85, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-(dimethylamino)butyl]-4-N-methyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80796786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).