N-methyl-2,5,6,7-tetrahydro-1H-1,3,5-triazonin-9-amine

C7H14N4 — CID 163959048

IUPACN-methyl-2,5,6,7-tetrahydro-1H-1,3,5-triazonin-9-amine
SMILESCNC1=CCCNC=NCN1
InChIInChI=1S/C7H14N4/c1-8-7-3-2-4-9-5-10-6-11-7/h3,5,8,11H,2,4,6H2,1H3,(H,9,10)
InChIKeySFXDKDZBMIABRH-UHFFFAOYSA-N
MW154.22 g/mol
LogP-0.38
Rot. Bonds1

About N-methyl-2,5,6,7-tetrahydro-1H-1,3,5-triazonin-9-amine

N-methyl-2,5,6,7-tetrahydro-1H-1,3,5-triazonin-9-amine (PubChem CID 163959048) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is N-methyl-2,5,6,7-tetrahydro-1H-1,3,5-triazonin-9-amine.

Molecular Properties

Compound NameN-methyl-2,5,6,7-tetrahydro-1H-1,3,5-triazonin-9-amine
PubChem CID163959048
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC NameN-methyl-2,5,6,7-tetrahydro-1H-1,3,5-triazonin-9-amine
SMILESCNC1=CCCNC=NCN1
InChIInChI=1S/C7H14N4/c1-8-7-3-2-4-9-5-10-6-11-7/h3,5,8,11H,2,4,6H2,1H3,(H,9,10)
InChIKeySFXDKDZBMIABRH-UHFFFAOYSA-N
XLogP-0.38
TPSA48.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-diethyl-2-[[[(E)-1-(ethylamino)but-1-enyl]amino]methyl]guanidine
CID 59899803
methyl(2,5,6,7-tetrahydro-1H-1,3,5-triazonin-9-yl)azanium
CID 163959047
2-[4,4-Bis(ethylamino)but-3-enyl]-1,3-diethylguanidine
CID 54188510

Frequently Asked Questions

What is the IUPAC name of N-methyl-2,5,6,7-tetrahydro-1H-1,3,5-triazonin-9-amine?
The IUPAC name of N-methyl-2,5,6,7-tetrahydro-1H-1,3,5-triazonin-9-amine (CID 163959048) is N-methyl-2,5,6,7-tetrahydro-1H-1,3,5-triazonin-9-amine.
What is the SMILES notation for N-methyl-2,5,6,7-tetrahydro-1H-1,3,5-triazonin-9-amine?
The canonical SMILES for N-methyl-2,5,6,7-tetrahydro-1H-1,3,5-triazonin-9-amine is CNC1=CCCNC=NCN1.
What is the InChIKey of N-methyl-2,5,6,7-tetrahydro-1H-1,3,5-triazonin-9-amine?
The InChIKey is SFXDKDZBMIABRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4/c1-8-7-3-2-4-9-5-10-6-11-7/h3,5,8,11H,2,4,6H2,1H3,(H,9,10).
What are the key properties of N-methyl-2,5,6,7-tetrahydro-1H-1,3,5-triazonin-9-amine?
N-methyl-2,5,6,7-tetrahydro-1H-1,3,5-triazonin-9-amine has a molecular weight of 154.22 g/mol, XLogP of -0.38, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2,5,6,7-tetrahydro-1H-1,3,5-triazonin-9-amine is sourced from PubChem (CID 163959048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).