N'-propan-2-yl-N'-(1,2,4-triazin-6-yl)ethane-1,2-diamine

C8H15N5 — CID 112709499

IUPACN'-propan-2-yl-N'-(1,2,4-triazin-6-yl)ethane-1,2-diamine
SMILESCC(C)N(CCN)c1cncnn1
InChIInChI=1S/C8H15N5/c1-7(2)13(4-3-9)8-5-10-6-11-12-8/h5-7H,3-4,9H2,1-2H3
InChIKeyHOMKWYPWVVCAOA-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.05
Rot. Bonds4

About N'-propan-2-yl-N'-(1,2,4-triazin-6-yl)ethane-1,2-diamine

N'-propan-2-yl-N'-(1,2,4-triazin-6-yl)ethane-1,2-diamine (PubChem CID 112709499) has the molecular formula C8H15N5 and a molecular weight of 181.24 g/mol. Its IUPAC name is N'-propan-2-yl-N'-(1,2,4-triazin-6-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-propan-2-yl-N'-(1,2,4-triazin-6-yl)ethane-1,2-diamine
PubChem CID112709499
Molecular FormulaC8H15N5
Molecular Weight181.24 g/mol
Exact Mass181.13
IUPAC NameN'-propan-2-yl-N'-(1,2,4-triazin-6-yl)ethane-1,2-diamine
SMILESCC(C)N(CCN)c1cncnn1
InChIInChI=1S/C8H15N5/c1-7(2)13(4-3-9)8-5-10-6-11-12-8/h5-7H,3-4,9H2,1-2H3
InChIKeyHOMKWYPWVVCAOA-UHFFFAOYSA-N
XLogP0.05
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-methyl-N'-(1,2,4-triazin-6-yl)propane-1,3-diamine
CID 112709407
N'-(5-methyl-2-pyridinyl)-N'-propan-2-ylethane-1,2-diamine
CID 62587286
N'-(6-cyclopropylpyrimidin-4-yl)-N'-propan-2-ylethane-1,2-diamine
CID 83837956
3-[(5-methylpyridazin-3-yl)-propan-2-ylamino]propanethioamide
CID 106549301
N'-(6-ethoxy-2-pyridinyl)-N'-propan-2-ylethane-1,2-diamine
CID 63586844
6-chloro-N-(2-methoxyethyl)-N-propan-2-ylpyrazin-2-amine
CID 82960163
N'-(5-tert-butyl-2-pyridinyl)-N'-propan-2-ylpropane-1,3-diamine
CID 107874254
6-(aminomethyl)-N-methyl-N-propan-2-ylpyrazin-2-amine
CID 66455790
N'-pentan-3-yl-N'-pyrimidin-4-ylethane-1,2-diamine
CID 63759066
[6-[propan-2-yl(propyl)amino]pyrazin-2-yl]methanol
CID 66466147
6-(aminomethyl)-N-pentyl-N-propan-2-ylpyridazin-3-amine
CID 62286551
N'-(3-bromo-4-methyl-2-pyridinyl)-N'-propan-2-ylethane-1,2-diamine
CID 106878743

Frequently Asked Questions

What is the IUPAC name of N'-propan-2-yl-N'-(1,2,4-triazin-6-yl)ethane-1,2-diamine?
The IUPAC name of N'-propan-2-yl-N'-(1,2,4-triazin-6-yl)ethane-1,2-diamine (CID 112709499) is N'-propan-2-yl-N'-(1,2,4-triazin-6-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-propan-2-yl-N'-(1,2,4-triazin-6-yl)ethane-1,2-diamine?
The canonical SMILES for N'-propan-2-yl-N'-(1,2,4-triazin-6-yl)ethane-1,2-diamine is CC(C)N(CCN)c1cncnn1.
What is the InChIKey of N'-propan-2-yl-N'-(1,2,4-triazin-6-yl)ethane-1,2-diamine?
The InChIKey is HOMKWYPWVVCAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5/c1-7(2)13(4-3-9)8-5-10-6-11-12-8/h5-7H,3-4,9H2,1-2H3.
What are the key properties of N'-propan-2-yl-N'-(1,2,4-triazin-6-yl)ethane-1,2-diamine?
N'-propan-2-yl-N'-(1,2,4-triazin-6-yl)ethane-1,2-diamine has a molecular weight of 181.24 g/mol, XLogP of 0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propan-2-yl-N'-(1,2,4-triazin-6-yl)ethane-1,2-diamine is sourced from PubChem (CID 112709499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).