1-cyclopropyl-1-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine;hydroiodide

C12H22IN5 — CID 110031064

IUPAC1-cyclopropyl-1-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine;hydroiodide
SMILESCc1nn(C)c(C)c1C/N=C(\N)N(C)C1CC1.I
InChIInChI=1S/C12H21N5.HI/c1-8-11(9(2)17(4)15-8)7-14-12(13)16(3)10-5-6-10;/h10H,5-7H2,1-4H3,(H2,13,14);1H
InChIKeyHCSILNDWCKFVSB-UHFFFAOYSA-N
MW363.25 g/mol
LogP1.56
Rot. Bonds3

About 1-cyclopropyl-1-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine;hydroiodide

1-cyclopropyl-1-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine;hydroiodide (PubChem CID 110031064) has the molecular formula C12H22IN5 and a molecular weight of 363.25 g/mol. Its IUPAC name is 1-cyclopropyl-1-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopropyl-1-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine;hydroiodide
PubChem CID110031064
Molecular FormulaC12H22IN5
Molecular Weight363.25 g/mol
Exact Mass363.09
IUPAC Name1-cyclopropyl-1-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine;hydroiodide
SMILESCc1nn(C)c(C)c1C/N=C(\N)N(C)C1CC1.I
InChIInChI=1S/C12H21N5.HI/c1-8-11(9(2)17(4)15-8)7-14-12(13)16(3)10-5-6-10;/h10H,5-7H2,1-4H3,(H2,13,14);1H
InChIKeyHCSILNDWCKFVSB-UHFFFAOYSA-N
XLogP1.56
TPSA59.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.25
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine;hydroiodide?
The IUPAC name of 1-cyclopropyl-1-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine;hydroiodide (CID 110031064) is 1-cyclopropyl-1-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-cyclopropyl-1-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1-cyclopropyl-1-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine;hydroiodide is Cc1nn(C)c(C)c1C/N=C(\N)N(C)C1CC1.I.
What is the InChIKey of 1-cyclopropyl-1-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine;hydroiodide?
The InChIKey is HCSILNDWCKFVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5.HI/c1-8-11(9(2)17(4)15-8)7-14-12(13)16(3)10-5-6-10;/h10H,5-7H2,1-4H3,(H2,13,14);1H.
What are the key properties of 1-cyclopropyl-1-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine;hydroiodide?
1-cyclopropyl-1-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine;hydroiodide has a molecular weight of 363.25 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 110031064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).