N-[[1-[(2-methylphenyl)methyl]triazol-4-yl]methyl]propan-2-amine

C14H20N4 — CID 66192029

IUPACN-[[1-[(2-methylphenyl)methyl]triazol-4-yl]methyl]propan-2-amine
SMILESCc1ccccc1Cn1cc(CNC(C)C)nn1
InChIInChI=1S/C14H20N4/c1-11(2)15-8-14-10-18(17-16-14)9-13-7-5-4-6-12(13)3/h4-7,10-11,15H,8-9H2,1-3H3
InChIKeyMMQRTDRFGJOEMK-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.13
Rot. Bonds5

About N-[[1-[(2-methylphenyl)methyl]triazol-4-yl]methyl]propan-2-amine

N-[[1-[(2-methylphenyl)methyl]triazol-4-yl]methyl]propan-2-amine (PubChem CID 66192029) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is N-[[1-[(2-methylphenyl)methyl]triazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[(2-methylphenyl)methyl]triazol-4-yl]methyl]propan-2-amine
PubChem CID66192029
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC NameN-[[1-[(2-methylphenyl)methyl]triazol-4-yl]methyl]propan-2-amine
SMILESCc1ccccc1Cn1cc(CNC(C)C)nn1
InChIInChI=1S/C14H20N4/c1-11(2)15-8-14-10-18(17-16-14)9-13-7-5-4-6-12(13)3/h4-7,10-11,15H,8-9H2,1-3H3
InChIKeyMMQRTDRFGJOEMK-UHFFFAOYSA-N
XLogP2.13
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-methylphenyl)methyl]triazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[(2-methylphenyl)methyl]triazol-4-yl]methyl]propan-2-amine (CID 66192029) is N-[[1-[(2-methylphenyl)methyl]triazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[(2-methylphenyl)methyl]triazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[(2-methylphenyl)methyl]triazol-4-yl]methyl]propan-2-amine is Cc1ccccc1Cn1cc(CNC(C)C)nn1.
What is the InChIKey of N-[[1-[(2-methylphenyl)methyl]triazol-4-yl]methyl]propan-2-amine?
The InChIKey is MMQRTDRFGJOEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-11(2)15-8-14-10-18(17-16-14)9-13-7-5-4-6-12(13)3/h4-7,10-11,15H,8-9H2,1-3H3.
What are the key properties of N-[[1-[(2-methylphenyl)methyl]triazol-4-yl]methyl]propan-2-amine?
N-[[1-[(2-methylphenyl)methyl]triazol-4-yl]methyl]propan-2-amine has a molecular weight of 244.34 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-methylphenyl)methyl]triazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 66192029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).