5-N-propan-2-yl-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine

C12H23N5 — CID 112938774

IUPAC5-N-propan-2-yl-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine
SMILESCCCN(CCC)c1nncc(NC(C)C)n1
InChIInChI=1S/C12H23N5/c1-5-7-17(8-6-2)12-15-11(9-13-16-12)14-10(3)4/h9-10H,5-8H2,1-4H3,(H,14,15,16)
InChIKeyAQVRQNWZXJNTIK-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.32
Rot. Bonds7

About 5-N-propan-2-yl-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine

5-N-propan-2-yl-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine (PubChem CID 112938774) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is 5-N-propan-2-yl-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-propan-2-yl-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine
PubChem CID112938774
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC Name5-N-propan-2-yl-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine
SMILESCCCN(CCC)c1nncc(NC(C)C)n1
InChIInChI=1S/C12H23N5/c1-5-7-17(8-6-2)12-15-11(9-13-16-12)14-10(3)4/h9-10H,5-8H2,1-4H3,(H,14,15,16)
InChIKeyAQVRQNWZXJNTIK-UHFFFAOYSA-N
XLogP2.32
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-(4-propan-2-ylphenyl)-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine
CID 112960946
5-N-(2-methoxyethyl)-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine
CID 112943365
5-N-benzyl-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine
CID 112947577
5-N-(oxolan-2-ylmethyl)-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine
CID 112944414
5-N-[2-(4-fluorophenyl)ethyl]-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine
CID 112953666
5-N-(5-chloro-2-methylphenyl)-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine
CID 112960958
5-N-(3-bromo-4-methylphenyl)-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine
CID 112960966
5-N-(4-phenoxyphenyl)-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine
CID 112960998
5-N-[(3,4-dimethoxyphenyl)methyl]-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine
CID 112956312
5-N-(1,3-benzodioxol-5-ylmethyl)-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine
CID 112951342
5-N-[4-(4-methylpiperazin-1-yl)phenyl]-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine
CID 112960996
3-N-(2-methylpropyl)-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112938692

Frequently Asked Questions

What is the IUPAC name of 5-N-propan-2-yl-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-propan-2-yl-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine (CID 112938774) is 5-N-propan-2-yl-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-propan-2-yl-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-propan-2-yl-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine is CCCN(CCC)c1nncc(NC(C)C)n1.
What is the InChIKey of 5-N-propan-2-yl-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine?
The InChIKey is AQVRQNWZXJNTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-5-7-17(8-6-2)12-15-11(9-13-16-12)14-10(3)4/h9-10H,5-8H2,1-4H3,(H,14,15,16).
What are the key properties of 5-N-propan-2-yl-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine?
5-N-propan-2-yl-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine has a molecular weight of 237.35 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-propan-2-yl-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112938774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).