4-(2-ethylazepan-1-yl)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine

C13H25N7 — CID 104693151

IUPAC4-(2-ethylazepan-1-yl)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCCC1CCCCCN1c1nc(NN)nc(N(C)C)n1
InChIInChI=1S/C13H25N7/c1-4-10-8-6-5-7-9-20(10)13-16-11(18-14)15-12(17-13)19(2)3/h10H,4-9,14H2,1-3H3,(H,15,16,17,18)
InChIKeyOTQIHRCJWCZSFO-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.38
Rot. Bonds4

About 4-(2-ethylazepan-1-yl)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine

4-(2-ethylazepan-1-yl)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine (PubChem CID 104693151) has the molecular formula C13H25N7 and a molecular weight of 279.39 g/mol. Its IUPAC name is 4-(2-ethylazepan-1-yl)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2-ethylazepan-1-yl)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine
PubChem CID104693151
Molecular FormulaC13H25N7
Molecular Weight279.39 g/mol
Exact Mass279.22
IUPAC Name4-(2-ethylazepan-1-yl)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCCC1CCCCCN1c1nc(NN)nc(N(C)C)n1
InChIInChI=1S/C13H25N7/c1-4-10-8-6-5-7-9-20(10)13-16-11(18-14)15-12(17-13)19(2)3/h10H,4-9,14H2,1-3H3,(H,15,16,17,18)
InChIKeyOTQIHRCJWCZSFO-UHFFFAOYSA-N
XLogP1.38
TPSA83.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-N,4-N-diethyl-6-(2-ethylpiperidin-1-yl)-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 80773407
[4-(2-ethylpiperidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 80938606
[1-[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methanol
CID 80794784
2-N,4-N,4-N-triethyl-6-(2-ethylpyrrolidin-1-yl)-1,3,5-triazine-2,4-diamine
CID 80775342
[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]azepan-2-yl]methanol
CID 116640714
4-chloro-6-(2-ethylazepan-1-yl)-N-methyl-1,3,5-triazin-2-amine
CID 104693064
4-N,4-N-diethyl-6-(2-ethylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine
CID 80776049
4-hydrazinyl-N,N-dimethyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,3,5-triazin-2-amine
CID 80905094
N-ethyl-4-(2-ethylazepan-1-yl)-6-methoxy-1,3,5-triazin-2-amine
CID 104693031
6-(3-ethylmorpholin-4-yl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 80789304
2-N-ethyl-6-(3-ethylmorpholin-4-yl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80789841
6-(2-cyclopentylpyrrolidin-1-yl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 80792754

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylazepan-1-yl)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2-ethylazepan-1-yl)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine (CID 104693151) is 4-(2-ethylazepan-1-yl)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2-ethylazepan-1-yl)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2-ethylazepan-1-yl)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine is CCC1CCCCCN1c1nc(NN)nc(N(C)C)n1.
What is the InChIKey of 4-(2-ethylazepan-1-yl)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine?
The InChIKey is OTQIHRCJWCZSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N7/c1-4-10-8-6-5-7-9-20(10)13-16-11(18-14)15-12(17-13)19(2)3/h10H,4-9,14H2,1-3H3,(H,15,16,17,18).
What are the key properties of 4-(2-ethylazepan-1-yl)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine?
4-(2-ethylazepan-1-yl)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine has a molecular weight of 279.39 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylazepan-1-yl)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 104693151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).