2-[[4-[ethyl-[2-(triazol-1-yl)ethyl]amino]phenyl]methylideneamino]guanidine

C14H20N8 — CID 168591834

IUPAC2-[[4-[ethyl-[2-(triazol-1-yl)ethyl]amino]phenyl]methylideneamino]guanidine
SMILESCCN(CCn1ccnn1)c1ccc(C=NN=C(N)N)cc1
InChIInChI=1S/C14H20N8/c1-2-21(9-10-22-8-7-17-20-22)13-5-3-12(4-6-13)11-18-19-14(15)16/h3-8,11H,2,9-10H2,1H3,(H4,15,16,19)
InChIKeySAMVNKOJRFANDY-UHFFFAOYSA-N
MW300.37 g/mol
LogP0.41
Rot. Bonds7

About 2-[[4-[ethyl-[2-(triazol-1-yl)ethyl]amino]phenyl]methylideneamino]guanidine

2-[[4-[ethyl-[2-(triazol-1-yl)ethyl]amino]phenyl]methylideneamino]guanidine (PubChem CID 168591834) has the molecular formula C14H20N8 and a molecular weight of 300.37 g/mol. Its IUPAC name is 2-[[4-[ethyl-[2-(triazol-1-yl)ethyl]amino]phenyl]methylideneamino]guanidine.

Molecular Properties

Compound Name2-[[4-[ethyl-[2-(triazol-1-yl)ethyl]amino]phenyl]methylideneamino]guanidine
PubChem CID168591834
Molecular FormulaC14H20N8
Molecular Weight300.37 g/mol
Exact Mass300.18
IUPAC Name2-[[4-[ethyl-[2-(triazol-1-yl)ethyl]amino]phenyl]methylideneamino]guanidine
SMILESCCN(CCn1ccnn1)c1ccc(C=NN=C(N)N)cc1
InChIInChI=1S/C14H20N8/c1-2-21(9-10-22-8-7-17-20-22)13-5-3-12(4-6-13)11-18-19-14(15)16/h3-8,11H,2,9-10H2,1H3,(H4,15,16,19)
InChIKeySAMVNKOJRFANDY-UHFFFAOYSA-N
XLogP0.41
TPSA110.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-methyl-4-phenyl-1H-1,2,3-triazole
CID 11309663
N-[(1-benzyltriazol-4-yl)methyl]aniline
CID 16745947
1-Benzyl-4-hexyl-triazole
CID 54772019
3-(1-benzyl-1H-1,2,3-triazol-4-yl)aniline
CID 49837517
4-[(E)-2-[1-(2-fluoroethyl)triazol-4-yl]ethenyl]-N,N-dimethylaniline
CID 56949927
1-Benzyl-4-decyl-1H-1,2,3-triazole
CID 46204132
1-Benzyl-4-octyl-triazole
CID 10423341
1-Ethyl-4-phenyltriazole
CID 22944458
1-Benzyl-4-butyl-1H-1,2,3-triazole
CID 24887144
1-Butyl-4-phenyltriazole
CID 45378439
1-Benzyl-4-heptyltriazole
CID 54772020
N-[2-(1-benzyltriazol-4-yl)ethyl]-N-methylprop-2-yn-1-amine
CID 132579937

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[ethyl-[2-(triazol-1-yl)ethyl]amino]phenyl]methylideneamino]guanidine?
The IUPAC name of 2-[[4-[ethyl-[2-(triazol-1-yl)ethyl]amino]phenyl]methylideneamino]guanidine (CID 168591834) is 2-[[4-[ethyl-[2-(triazol-1-yl)ethyl]amino]phenyl]methylideneamino]guanidine.
What is the SMILES notation for 2-[[4-[ethyl-[2-(triazol-1-yl)ethyl]amino]phenyl]methylideneamino]guanidine?
The canonical SMILES for 2-[[4-[ethyl-[2-(triazol-1-yl)ethyl]amino]phenyl]methylideneamino]guanidine is CCN(CCn1ccnn1)c1ccc(C=NN=C(N)N)cc1.
What is the InChIKey of 2-[[4-[ethyl-[2-(triazol-1-yl)ethyl]amino]phenyl]methylideneamino]guanidine?
The InChIKey is SAMVNKOJRFANDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N8/c1-2-21(9-10-22-8-7-17-20-22)13-5-3-12(4-6-13)11-18-19-14(15)16/h3-8,11H,2,9-10H2,1H3,(H4,15,16,19).
What are the key properties of 2-[[4-[ethyl-[2-(triazol-1-yl)ethyl]amino]phenyl]methylideneamino]guanidine?
2-[[4-[ethyl-[2-(triazol-1-yl)ethyl]amino]phenyl]methylideneamino]guanidine has a molecular weight of 300.37 g/mol, XLogP of 0.41, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[ethyl-[2-(triazol-1-yl)ethyl]amino]phenyl]methylideneamino]guanidine is sourced from PubChem (CID 168591834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).