N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide

C9H17IN6 — CID 120970066

IUPACN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCCn1cnnc1CNC1=NCCN1C.I
InChIInChI=1S/C9H16N6.HI/c1-3-15-7-12-13-8(15)6-11-9-10-4-5-14(9)2;/h7H,3-6H2,1-2H3,(H,10,11);1H
InChIKeyRFMSTJZDDJTGCE-UHFFFAOYSA-N
MW336.18 g/mol
LogP0.31
Rot. Bonds3

About N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide (PubChem CID 120970066) has the molecular formula C9H17IN6 and a molecular weight of 336.18 g/mol. Its IUPAC name is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide.

Molecular Properties

Compound NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
PubChem CID120970066
Molecular FormulaC9H17IN6
Molecular Weight336.18 g/mol
Exact Mass336.06
IUPAC NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCCn1cnnc1CNC1=NCCN1C.I
InChIInChI=1S/C9H16N6.HI/c1-3-15-7-12-13-8(15)6-11-9-10-4-5-14(9)2;/h7H,3-6H2,1-2H3,(H,10,11);1H
InChIKeyRFMSTJZDDJTGCE-UHFFFAOYSA-N
XLogP0.31
TPSA58.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.18
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2,3,4,5-tetrahydropyridin-6-amine
CID 106302736
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpropan-2-amine
CID 79256368
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-hydrazinylpyridin-2-amine
CID 106304580
6-N-ethyl-4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpyrimidine-4,6-diamine
CID 106304567
N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969799
N-[(1-ethylpyrazol-4-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120973425
5-bromo-2-chloro-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine
CID 106303918
N-[(4-ethoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969673
3-chloro-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]aniline
CID 62691967
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-fluoropyridin-2-amine
CID 106303313
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
CID 106303380
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
CID 106304598

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide (CID 120970066) is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide.
What is the SMILES notation for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The canonical SMILES for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide is CCn1cnnc1CNC1=NCCN1C.I.
What is the InChIKey of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The InChIKey is RFMSTJZDDJTGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N6.HI/c1-3-15-7-12-13-8(15)6-11-9-10-4-5-14(9)2;/h7H,3-6H2,1-2H3,(H,10,11);1H.
What are the key properties of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide has a molecular weight of 336.18 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide is sourced from PubChem (CID 120970066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).