N-[[3-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]-1H-1,2,4-triazol-5-yl]methyl]-3,6-dimethylpyrazin-2-amine

C16H21N9 — CID 145040976

IUPACN-[[3-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]-1H-1,2,4-triazol-5-yl]methyl]-3,6-dimethylpyrazin-2-amine
SMILESCc1cnc(C)c(NCc2n[nH]c(CNc3nc(C)cnc3C)n2)n1
InChIInChI=1S/C16H21N9/c1-9-5-17-11(3)15(21-9)19-7-13-23-14(25-24-13)8-20-16-12(4)18-6-10(2)22-16/h5-6H,7-8H2,1-4H3,(H,19,21)(H,20,22)(H,23,24,25)
InChIKeyOZTRWKNTISDHPG-UHFFFAOYSA-N
MW339.41 g/mol
LogP1.84
Rot. Bonds6

About N-[[3-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]-1H-1,2,4-triazol-5-yl]methyl]-3,6-dimethylpyrazin-2-amine

N-[[3-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]-1H-1,2,4-triazol-5-yl]methyl]-3,6-dimethylpyrazin-2-amine (PubChem CID 145040976) has the molecular formula C16H21N9 and a molecular weight of 339.41 g/mol. Its IUPAC name is N-[[3-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]-1H-1,2,4-triazol-5-yl]methyl]-3,6-dimethylpyrazin-2-amine.

Molecular Properties

Compound NameN-[[3-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]-1H-1,2,4-triazol-5-yl]methyl]-3,6-dimethylpyrazin-2-amine
PubChem CID145040976
Molecular FormulaC16H21N9
Molecular Weight339.41 g/mol
Exact Mass339.19
IUPAC NameN-[[3-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]-1H-1,2,4-triazol-5-yl]methyl]-3,6-dimethylpyrazin-2-amine
SMILESCc1cnc(C)c(NCc2n[nH]c(CNc3nc(C)cnc3C)n2)n1
InChIInChI=1S/C16H21N9/c1-9-5-17-11(3)15(21-9)19-7-13-23-14(25-24-13)8-20-16-12(4)18-6-10(2)22-16/h5-6H,7-8H2,1-4H3,(H,19,21)(H,20,22)(H,23,24,25)
InChIKeyOZTRWKNTISDHPG-UHFFFAOYSA-N
XLogP1.84
TPSA117.19 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]-3,6-dimethylpyrazin-2-amine
CID 154786307
4-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]phenol
CID 113442355
3,6-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazin-2-amine
CID 60699153
N'-(3,6-dimethylpyrazin-2-yl)-N-methylethane-1,2-diamine
CID 62659686
N-[[3-(chloromethyl)phenyl]methyl]-3,6-dimethylpyrazin-2-amine
CID 65028743
[3-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]phenyl]methanol
CID 65419281
3,6-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazin-2-amine
CID 65416461
3,6-dimethyl-N-pentylpyrazin-2-amine
CID 60631563
N-[(2,5-difluorophenyl)methyl]-3,6-dimethylpyrazin-2-amine
CID 65417983
N-(2-chloroprop-2-enyl)-3,6-dimethylpyrazin-2-amine
CID 104695502
N-tert-butyl-2-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]benzenesulfonamide
CID 133468803
N-[(2-ethoxyphenyl)methyl]-3,6-dimethylpyrazin-2-amine
CID 133468436

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]-1H-1,2,4-triazol-5-yl]methyl]-3,6-dimethylpyrazin-2-amine?
The IUPAC name of N-[[3-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]-1H-1,2,4-triazol-5-yl]methyl]-3,6-dimethylpyrazin-2-amine (CID 145040976) is N-[[3-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]-1H-1,2,4-triazol-5-yl]methyl]-3,6-dimethylpyrazin-2-amine.
What is the SMILES notation for N-[[3-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]-1H-1,2,4-triazol-5-yl]methyl]-3,6-dimethylpyrazin-2-amine?
The canonical SMILES for N-[[3-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]-1H-1,2,4-triazol-5-yl]methyl]-3,6-dimethylpyrazin-2-amine is Cc1cnc(C)c(NCc2n[nH]c(CNc3nc(C)cnc3C)n2)n1.
What is the InChIKey of N-[[3-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]-1H-1,2,4-triazol-5-yl]methyl]-3,6-dimethylpyrazin-2-amine?
The InChIKey is OZTRWKNTISDHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N9/c1-9-5-17-11(3)15(21-9)19-7-13-23-14(25-24-13)8-20-16-12(4)18-6-10(2)22-16/h5-6H,7-8H2,1-4H3,(H,19,21)(H,20,22)(H,23,24,25).
What are the key properties of N-[[3-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]-1H-1,2,4-triazol-5-yl]methyl]-3,6-dimethylpyrazin-2-amine?
N-[[3-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]-1H-1,2,4-triazol-5-yl]methyl]-3,6-dimethylpyrazin-2-amine has a molecular weight of 339.41 g/mol, XLogP of 1.84, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]-1H-1,2,4-triazol-5-yl]methyl]-3,6-dimethylpyrazin-2-amine is sourced from PubChem (CID 145040976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).