5-N-tert-butyl-3-N-propyl-1,2,4-triazine-3,5-diamine

C10H19N5 — CID 112938566

IUPAC5-N-tert-butyl-3-N-propyl-1,2,4-triazine-3,5-diamine
SMILESCCCNc1nncc(NC(C)(C)C)n1
InChIInChI=1S/C10H19N5/c1-5-6-11-9-13-8(7-12-15-9)14-10(2,3)4/h7H,5-6H2,1-4H3,(H2,11,13,14,15)
InChIKeyALRCDJRSPZOGRA-UHFFFAOYSA-N
MW209.30 g/mol
LogP1.90
Rot. Bonds4

About 5-N-tert-butyl-3-N-propyl-1,2,4-triazine-3,5-diamine

5-N-tert-butyl-3-N-propyl-1,2,4-triazine-3,5-diamine (PubChem CID 112938566) has the molecular formula C10H19N5 and a molecular weight of 209.30 g/mol. Its IUPAC name is 5-N-tert-butyl-3-N-propyl-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-tert-butyl-3-N-propyl-1,2,4-triazine-3,5-diamine
PubChem CID112938566
Molecular FormulaC10H19N5
Molecular Weight209.30 g/mol
Exact Mass209.16
IUPAC Name5-N-tert-butyl-3-N-propyl-1,2,4-triazine-3,5-diamine
SMILESCCCNc1nncc(NC(C)(C)C)n1
InChIInChI=1S/C10H19N5/c1-5-6-11-9-13-8(7-12-15-9)14-10(2,3)4/h7H,5-6H2,1-4H3,(H2,11,13,14,15)
InChIKeyALRCDJRSPZOGRA-UHFFFAOYSA-N
XLogP1.90
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.30
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-tert-butyl-3-N-butyl-1,2,4-triazine-3,5-diamine
CID 112940141
5-N-pentyl-3-N-propyl-1,2,4-triazine-3,5-diamine
CID 112938570
5-N-tert-butyl-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine
CID 112945299
5-N-cyclopentyl-3-N-propyl-1,2,4-triazine-3,5-diamine
CID 112938496
5-N-tert-butyl-3-N-[(4-fluorophenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112950065
3-N-prop-2-enyl-5-N-propyl-1,2,4-triazine-3,5-diamine
CID 112938292
5-N-[(4-fluorophenyl)methyl]-3-N-propyl-1,2,4-triazine-3,5-diamine
CID 112938520
3-N-(3-phenylpropyl)-5-N-propyl-1,2,4-triazine-3,5-diamine
CID 112938364
5-N-(3,4-dichlorophenyl)-3-N-propyl-1,2,4-triazine-3,5-diamine
CID 112938670
3-N-[2-(4-methoxyphenoxy)ethyl]-5-N-propyl-1,2,4-triazine-3,5-diamine
CID 112938365
5-N-tert-butyl-3-N-[4-(diethylamino)phenyl]-1,2,4-triazine-3,5-diamine
CID 112958966
3-N-propyl-5-N-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine
CID 112938631

Frequently Asked Questions

What is the IUPAC name of 5-N-tert-butyl-3-N-propyl-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-tert-butyl-3-N-propyl-1,2,4-triazine-3,5-diamine (CID 112938566) is 5-N-tert-butyl-3-N-propyl-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-tert-butyl-3-N-propyl-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-tert-butyl-3-N-propyl-1,2,4-triazine-3,5-diamine is CCCNc1nncc(NC(C)(C)C)n1.
What is the InChIKey of 5-N-tert-butyl-3-N-propyl-1,2,4-triazine-3,5-diamine?
The InChIKey is ALRCDJRSPZOGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5/c1-5-6-11-9-13-8(7-12-15-9)14-10(2,3)4/h7H,5-6H2,1-4H3,(H2,11,13,14,15).
What are the key properties of 5-N-tert-butyl-3-N-propyl-1,2,4-triazine-3,5-diamine?
5-N-tert-butyl-3-N-propyl-1,2,4-triazine-3,5-diamine has a molecular weight of 209.30 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-tert-butyl-3-N-propyl-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112938566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).