2-N-propylimidazo[2,1-f][1,2,4]triazine-2,4-diamine

C8H12N6 — CID 175997383

IUPAC2-N-propylimidazo[2,1-f][1,2,4]triazine-2,4-diamine
SMILESCCCNc1nc(N)c2nccn2n1
InChIInChI=1S/C8H12N6/c1-2-3-11-8-12-6(9)7-10-4-5-14(7)13-8/h4-5H,2-3H2,1H3,(H3,9,11,12,13)
InChIKeyJHYIOFQWMAGJBQ-UHFFFAOYSA-N
MW192.23 g/mol
LogP0.53
Rot. Bonds3

About 2-N-propylimidazo[2,1-f][1,2,4]triazine-2,4-diamine

2-N-propylimidazo[2,1-f][1,2,4]triazine-2,4-diamine (PubChem CID 175997383) has the molecular formula C8H12N6 and a molecular weight of 192.23 g/mol. Its IUPAC name is 2-N-propylimidazo[2,1-f][1,2,4]triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-propylimidazo[2,1-f][1,2,4]triazine-2,4-diamine
PubChem CID175997383
Molecular FormulaC8H12N6
Molecular Weight192.23 g/mol
Exact Mass192.11
IUPAC Name2-N-propylimidazo[2,1-f][1,2,4]triazine-2,4-diamine
SMILESCCCNc1nc(N)c2nccn2n1
InChIInChI=1S/C8H12N6/c1-2-3-11-8-12-6(9)7-10-4-5-14(7)13-8/h4-5H,2-3H2,1H3,(H3,9,11,12,13)
InChIKeyJHYIOFQWMAGJBQ-UHFFFAOYSA-N
XLogP0.53
TPSA81.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_6_tetrazine(18)', 'substructure': 'N/A'}

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Related Compounds

(1,2,4)Triazolo(4,3-a)pyrazine
CID 249778
[1,2,4]Triazolo[1,5-a]pyrazine
CID 136241
Imidazo(2,1-f)(1,2,4)triazine
CID 10558611
(1,2,4)Triazolo(4,3-a)pyrazin-3-amine
CID 55264503
3-Methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 325678
(1,2,4)Triazolo(1,5-a)pyrazin-2-amine
CID 13033266
2-Bromo-[1,2,4]triazolo[1,5-a]pyrazine
CID 71302468
(1,2,4)Triazolo(4,3-a)pyrazin-5-amine
CID 71756308
5-Chloro-(1,2,4)triazolo(1,5-a)pyrazin-2-amine
CID 89813281
5-(Tributylstannyl)-[1,2,4]triazolo[1,5-a]pyrazine
CID 132327644
3-Methyl-[1,2,4]triazolo[4,3-a]pyrazine
CID 584092
2-Methyl-[1,2,4]triazolo[1,5-a]pyrazine
CID 584093

Frequently Asked Questions

What is the IUPAC name of 2-N-propylimidazo[2,1-f][1,2,4]triazine-2,4-diamine?
The IUPAC name of 2-N-propylimidazo[2,1-f][1,2,4]triazine-2,4-diamine (CID 175997383) is 2-N-propylimidazo[2,1-f][1,2,4]triazine-2,4-diamine.
What is the SMILES notation for 2-N-propylimidazo[2,1-f][1,2,4]triazine-2,4-diamine?
The canonical SMILES for 2-N-propylimidazo[2,1-f][1,2,4]triazine-2,4-diamine is CCCNc1nc(N)c2nccn2n1.
What is the InChIKey of 2-N-propylimidazo[2,1-f][1,2,4]triazine-2,4-diamine?
The InChIKey is JHYIOFQWMAGJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6/c1-2-3-11-8-12-6(9)7-10-4-5-14(7)13-8/h4-5H,2-3H2,1H3,(H3,9,11,12,13).
What are the key properties of 2-N-propylimidazo[2,1-f][1,2,4]triazine-2,4-diamine?
2-N-propylimidazo[2,1-f][1,2,4]triazine-2,4-diamine has a molecular weight of 192.23 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-propylimidazo[2,1-f][1,2,4]triazine-2,4-diamine is sourced from PubChem (CID 175997383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).