1-cyclopropyl-N'-(5,6-dimethyl-1,2,4-triazin-3-yl)ethane-1,2-diamine

C10H17N5 — CID 114787209

IUPAC1-cyclopropyl-N'-(5,6-dimethyl-1,2,4-triazin-3-yl)ethane-1,2-diamine
SMILESCc1nnc(NCC(N)C2CC2)nc1C
InChIInChI=1S/C10H17N5/c1-6-7(2)14-15-10(13-6)12-5-9(11)8-3-4-8/h8-9H,3-5,11H2,1-2H3,(H,12,13,15)
InChIKeyGTWMOFSQVFRVME-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.64
Rot. Bonds4

About 1-cyclopropyl-N'-(5,6-dimethyl-1,2,4-triazin-3-yl)ethane-1,2-diamine

1-cyclopropyl-N'-(5,6-dimethyl-1,2,4-triazin-3-yl)ethane-1,2-diamine (PubChem CID 114787209) has the molecular formula C10H17N5 and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-cyclopropyl-N'-(5,6-dimethyl-1,2,4-triazin-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopropyl-N'-(5,6-dimethyl-1,2,4-triazin-3-yl)ethane-1,2-diamine
PubChem CID114787209
Molecular FormulaC10H17N5
Molecular Weight207.28 g/mol
Exact Mass207.15
IUPAC Name1-cyclopropyl-N'-(5,6-dimethyl-1,2,4-triazin-3-yl)ethane-1,2-diamine
SMILESCc1nnc(NCC(N)C2CC2)nc1C
InChIInChI=1S/C10H17N5/c1-6-7(2)14-15-10(13-6)12-5-9(11)8-3-4-8/h8-9H,3-5,11H2,1-2H3,(H,12,13,15)
InChIKeyGTWMOFSQVFRVME-UHFFFAOYSA-N
XLogP0.64
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N'-(5,6-dimethyl-1,2,4-triazin-3-yl)ethane-1,2-diamine?
The IUPAC name of 1-cyclopropyl-N'-(5,6-dimethyl-1,2,4-triazin-3-yl)ethane-1,2-diamine (CID 114787209) is 1-cyclopropyl-N'-(5,6-dimethyl-1,2,4-triazin-3-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-cyclopropyl-N'-(5,6-dimethyl-1,2,4-triazin-3-yl)ethane-1,2-diamine?
The canonical SMILES for 1-cyclopropyl-N'-(5,6-dimethyl-1,2,4-triazin-3-yl)ethane-1,2-diamine is Cc1nnc(NCC(N)C2CC2)nc1C.
What is the InChIKey of 1-cyclopropyl-N'-(5,6-dimethyl-1,2,4-triazin-3-yl)ethane-1,2-diamine?
The InChIKey is GTWMOFSQVFRVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5/c1-6-7(2)14-15-10(13-6)12-5-9(11)8-3-4-8/h8-9H,3-5,11H2,1-2H3,(H,12,13,15).
What are the key properties of 1-cyclopropyl-N'-(5,6-dimethyl-1,2,4-triazin-3-yl)ethane-1,2-diamine?
1-cyclopropyl-N'-(5,6-dimethyl-1,2,4-triazin-3-yl)ethane-1,2-diamine has a molecular weight of 207.28 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N'-(5,6-dimethyl-1,2,4-triazin-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 114787209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).