N'-methyl-N'-(1,2,4-triazin-6-yl)propane-1,3-diamine

C7H13N5 — CID 112709407

IUPACN'-methyl-N'-(1,2,4-triazin-6-yl)propane-1,3-diamine
SMILESCN(CCCN)c1cncnn1
InChIInChI=1S/C7H13N5/c1-12(4-2-3-8)7-5-9-6-10-11-7/h5-6H,2-4,8H2,1H3
InChIKeyJWQMFNKYGHPZCL-UHFFFAOYSA-N
MW167.22 g/mol
LogP-0.34
Rot. Bonds4

About N'-methyl-N'-(1,2,4-triazin-6-yl)propane-1,3-diamine

N'-methyl-N'-(1,2,4-triazin-6-yl)propane-1,3-diamine (PubChem CID 112709407) has the molecular formula C7H13N5 and a molecular weight of 167.22 g/mol. Its IUPAC name is N'-methyl-N'-(1,2,4-triazin-6-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(1,2,4-triazin-6-yl)propane-1,3-diamine
PubChem CID112709407
Molecular FormulaC7H13N5
Molecular Weight167.22 g/mol
Exact Mass167.12
IUPAC NameN'-methyl-N'-(1,2,4-triazin-6-yl)propane-1,3-diamine
SMILESCN(CCCN)c1cncnn1
InChIInChI=1S/C7H13N5/c1-12(4-2-3-8)7-5-9-6-10-11-7/h5-6H,2-4,8H2,1H3
InChIKeyJWQMFNKYGHPZCL-UHFFFAOYSA-N
XLogP-0.34
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.22
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-propan-2-yl-N'-(1,2,4-triazin-6-yl)ethane-1,2-diamine
CID 112709499
N'-(6-chloropyridazin-3-yl)-N'-methylpropane-1,3-diamine
CID 115319396
N'-(5-fluoro-2-pyridinyl)-N'-methylpropane-1,3-diamine
CID 61311958
N'-methyl-N'-pyridin-2-ylpropane-1,3-diamine;dihydrochloride
CID 134690924
N'-(5-chloropyrimidin-4-yl)-N'-methylpentane-1,5-diamine
CID 107207100
N'-methyl-N'-(5-methyl-2-pyridinyl)pentane-1,5-diamine
CID 107206914
6-[3-aminopropyl(methyl)amino]pyridine-2-carbonitrile
CID 115319464
6-(aminomethyl)-N-(3-methoxypropyl)-N-methylpyrazin-2-amine
CID 66450103
N'-(5-tert-butyl-2-pyridinyl)-N'-methylpentane-1,5-diamine
CID 107875723
N'-(3,5-difluoro-2-pyridinyl)-N'-methylpropane-1,3-diamine
CID 112675382
N'-(6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl)-N'-methylpropane-1,3-diamine
CID 83838426
N'-(5-fluoro-2H-triazol-4-yl)-N'-methylpropane-1,3-diamine
CID 118244996

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(1,2,4-triazin-6-yl)propane-1,3-diamine?
The IUPAC name of N'-methyl-N'-(1,2,4-triazin-6-yl)propane-1,3-diamine (CID 112709407) is N'-methyl-N'-(1,2,4-triazin-6-yl)propane-1,3-diamine.
What is the SMILES notation for N'-methyl-N'-(1,2,4-triazin-6-yl)propane-1,3-diamine?
The canonical SMILES for N'-methyl-N'-(1,2,4-triazin-6-yl)propane-1,3-diamine is CN(CCCN)c1cncnn1.
What is the InChIKey of N'-methyl-N'-(1,2,4-triazin-6-yl)propane-1,3-diamine?
The InChIKey is JWQMFNKYGHPZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5/c1-12(4-2-3-8)7-5-9-6-10-11-7/h5-6H,2-4,8H2,1H3.
What are the key properties of N'-methyl-N'-(1,2,4-triazin-6-yl)propane-1,3-diamine?
N'-methyl-N'-(1,2,4-triazin-6-yl)propane-1,3-diamine has a molecular weight of 167.22 g/mol, XLogP of -0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(1,2,4-triazin-6-yl)propane-1,3-diamine is sourced from PubChem (CID 112709407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).