6-imidazol-1-yl-4-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine

C12H19N7 — CID 80764046

IUPAC6-imidazol-1-yl-4-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
SMILESCCCN(CCC)c1nc(N)nc(-n2ccnc2)n1
InChIInChI=1S/C12H19N7/c1-3-6-18(7-4-2)11-15-10(13)16-12(17-11)19-8-5-14-9-19/h5,8-9H,3-4,6-7H2,1-2H3,(H2,13,15,16,17)
InChIKeyZFOHHLLWEDJONU-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.27
Rot. Bonds6

About 6-imidazol-1-yl-4-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine

6-imidazol-1-yl-4-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine (PubChem CID 80764046) has the molecular formula C12H19N7 and a molecular weight of 261.33 g/mol. Its IUPAC name is 6-imidazol-1-yl-4-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-imidazol-1-yl-4-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
PubChem CID80764046
Molecular FormulaC12H19N7
Molecular Weight261.33 g/mol
Exact Mass261.17
IUPAC Name6-imidazol-1-yl-4-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
SMILESCCCN(CCC)c1nc(N)nc(-n2ccnc2)n1
InChIInChI=1S/C12H19N7/c1-3-6-18(7-4-2)11-15-10(13)16-12(17-11)19-8-5-14-9-19/h5,8-9H,3-4,6-7H2,1-2H3,(H2,13,15,16,17)
InChIKeyZFOHHLLWEDJONU-UHFFFAOYSA-N
XLogP1.27
TPSA85.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

4-N-ethyl-6-imidazol-1-yl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80773693
2-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)-propylamino]ethanol
CID 80796446
4-hydrazinyl-6-imidazol-1-yl-N,N-dipropyl-1,3,5-triazin-2-amine
CID 80931860
4-N-ethyl-4-N-(2-ethylbutyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80779658
2-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)-propan-2-ylamino]ethanol
CID 80810035
6-imidazol-1-yl-4-N-methyl-4-N-(2-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine
CID 80849549
6-imidazol-1-yl-4-N-(2-methylpropyl)-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 80820982
N-(cyclopropylmethyl)-4-hydrazinyl-6-imidazol-1-yl-N-propyl-1,3,5-triazin-2-amine
CID 80900414
6-imidazol-1-yl-4-N-methyl-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 80798257
4-N-(3,3-dimethylbutan-2-yl)-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80815490
3-[[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)-methylamino]methyl]cyclobutan-1-ol
CID 80856191
6-imidazol-1-yl-4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 80779197

Frequently Asked Questions

What is the IUPAC name of 6-imidazol-1-yl-4-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-imidazol-1-yl-4-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine (CID 80764046) is 6-imidazol-1-yl-4-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-imidazol-1-yl-4-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-imidazol-1-yl-4-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine is CCCN(CCC)c1nc(N)nc(-n2ccnc2)n1.
What is the InChIKey of 6-imidazol-1-yl-4-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine?
The InChIKey is ZFOHHLLWEDJONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N7/c1-3-6-18(7-4-2)11-15-10(13)16-12(17-11)19-8-5-14-9-19/h5,8-9H,3-4,6-7H2,1-2H3,(H2,13,15,16,17).
What are the key properties of 6-imidazol-1-yl-4-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine?
6-imidazol-1-yl-4-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine has a molecular weight of 261.33 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazol-1-yl-4-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80764046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).