(5-methyl-1H-imidazol-4-yl)methanamine;hydrochloride

C5H10ClN3 — CID 56773750

IUPAC(5-methyl-1H-imidazol-4-yl)methanamine;hydrochloride
SMILESCc1[nH]cnc1CN.Cl
InChIInChI=1S/C5H9N3.ClH/c1-4-5(2-6)8-3-7-4;/h3H,2,6H2,1H3,(H,7,8);1H
InChIKeySCCMRVHPEOBFBD-UHFFFAOYSA-N
MW147.61 g/mol
LogP0.60
Rot. Bonds1

About (5-methyl-1H-imidazol-4-yl)methanamine;hydrochloride

(5-methyl-1H-imidazol-4-yl)methanamine;hydrochloride (PubChem CID 56773750) has the molecular formula C5H10ClN3 and a molecular weight of 147.61 g/mol. Its IUPAC name is (5-methyl-1H-imidazol-4-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(5-methyl-1H-imidazol-4-yl)methanamine;hydrochloride
PubChem CID56773750
Molecular FormulaC5H10ClN3
Molecular Weight147.61 g/mol
Exact Mass147.06
IUPAC Name(5-methyl-1H-imidazol-4-yl)methanamine;hydrochloride
SMILESCc1[nH]cnc1CN.Cl
InChIInChI=1S/C5H9N3.ClH/c1-4-5(2-6)8-3-7-4;/h3H,2,6H2,1H3,(H,7,8);1H
InChIKeySCCMRVHPEOBFBD-UHFFFAOYSA-N
XLogP0.60
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.61
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1H-imidazol-4-yl)methanamine;hydrochloride?
The IUPAC name of (5-methyl-1H-imidazol-4-yl)methanamine;hydrochloride (CID 56773750) is (5-methyl-1H-imidazol-4-yl)methanamine;hydrochloride.
What is the SMILES notation for (5-methyl-1H-imidazol-4-yl)methanamine;hydrochloride?
The canonical SMILES for (5-methyl-1H-imidazol-4-yl)methanamine;hydrochloride is Cc1[nH]cnc1CN.Cl.
What is the InChIKey of (5-methyl-1H-imidazol-4-yl)methanamine;hydrochloride?
The InChIKey is SCCMRVHPEOBFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3.ClH/c1-4-5(2-6)8-3-7-4;/h3H,2,6H2,1H3,(H,7,8);1H.
What are the key properties of (5-methyl-1H-imidazol-4-yl)methanamine;hydrochloride?
(5-methyl-1H-imidazol-4-yl)methanamine;hydrochloride has a molecular weight of 147.61 g/mol, XLogP of 0.60, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1H-imidazol-4-yl)methanamine;hydrochloride is sourced from PubChem (CID 56773750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).