N-(cyclopropylmethyl)-N-ethyl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine

C12H18N8 — CID 80912708

IUPACN-(cyclopropylmethyl)-N-ethyl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine
SMILESCCN(CC1CC1)c1nc(NN)nc(-n2ccnc2)n1
InChIInChI=1S/C12H18N8/c1-2-19(7-9-3-4-9)11-15-10(18-13)16-12(17-11)20-6-5-14-8-20/h5-6,8-9H,2-4,7,13H2,1H3,(H,15,16,17,18)
InChIKeyWPZIJNUABVEKQT-UHFFFAOYSA-N
MW274.33 g/mol
LogP0.58
Rot. Bonds6

About N-(cyclopropylmethyl)-N-ethyl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine

N-(cyclopropylmethyl)-N-ethyl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine (PubChem CID 80912708) has the molecular formula C12H18N8 and a molecular weight of 274.33 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-ethyl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-ethyl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine
PubChem CID80912708
Molecular FormulaC12H18N8
Molecular Weight274.33 g/mol
Exact Mass274.17
IUPAC NameN-(cyclopropylmethyl)-N-ethyl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine
SMILESCCN(CC1CC1)c1nc(NN)nc(-n2ccnc2)n1
InChIInChI=1S/C12H18N8/c1-2-19(7-9-3-4-9)11-15-10(18-13)16-12(17-11)20-6-5-14-8-20/h5-6,8-9H,2-4,7,13H2,1H3,(H,15,16,17,18)
InChIKeyWPZIJNUABVEKQT-UHFFFAOYSA-N
XLogP0.58
TPSA97.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

N-(cyclopropylmethyl)-4-hydrazinyl-6-imidazol-1-yl-N-propyl-1,3,5-triazin-2-amine
CID 80900414
4-N-(cyclopropylmethyl)-2-N,4-N-diethyl-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80819888
4-hydrazinyl-6-imidazol-1-yl-N,N-dipropyl-1,3,5-triazin-2-amine
CID 80931860
4-hydrazinyl-6-imidazol-1-yl-N-methyl-N-[(2-methylcyclopropyl)methyl]-1,3,5-triazin-2-amine
CID 80912687
4-hydrazinyl-6-imidazol-1-yl-N-(4-methylcyclohexyl)-1,3,5-triazin-2-amine
CID 80938412
[4-(3-ethylpiperidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 80898508
2-(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)-1,1-dimethylhydrazine
CID 83027475
4-hydrazinyl-6-imidazol-1-yl-N-[(2-methylcyclopropyl)methyl]-1,3,5-triazin-2-amine
CID 113464289
4-hydrazinyl-6-imidazol-1-yl-N-(3-methylcyclobutyl)-1,3,5-triazin-2-amine
CID 113467607
N-cyclobutyl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80918567
[4-imidazol-1-yl-6-(3-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]hydrazine
CID 80927857
N'-ethyl-N-(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)-N'-methylethane-1,2-diamine
CID 80919698

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-ethyl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-(cyclopropylmethyl)-N-ethyl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine (CID 80912708) is N-(cyclopropylmethyl)-N-ethyl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-N-ethyl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-(cyclopropylmethyl)-N-ethyl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine is CCN(CC1CC1)c1nc(NN)nc(-n2ccnc2)n1.
What is the InChIKey of N-(cyclopropylmethyl)-N-ethyl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is WPZIJNUABVEKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N8/c1-2-19(7-9-3-4-9)11-15-10(18-13)16-12(17-11)20-6-5-14-8-20/h5-6,8-9H,2-4,7,13H2,1H3,(H,15,16,17,18).
What are the key properties of N-(cyclopropylmethyl)-N-ethyl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine?
N-(cyclopropylmethyl)-N-ethyl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine has a molecular weight of 274.33 g/mol, XLogP of 0.58, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-ethyl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80912708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).