N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(oxolan-3-yl)methanamine

C10H18N4O — CID 61038589

IUPACN-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(oxolan-3-yl)methanamine
SMILESCc1nnc(CNCC2CCOC2)n1C
InChIInChI=1S/C10H18N4O/c1-8-12-13-10(14(8)2)6-11-5-9-3-4-15-7-9/h9,11H,3-7H2,1-2H3
InChIKeyNZFITZVEXASJJY-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.25
Rot. Bonds4

About N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(oxolan-3-yl)methanamine

N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(oxolan-3-yl)methanamine (PubChem CID 61038589) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(oxolan-3-yl)methanamine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(oxolan-3-yl)methanamine
PubChem CID61038589
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC NameN-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(oxolan-3-yl)methanamine
SMILESCc1nnc(CNCC2CCOC2)n1C
InChIInChI=1S/C10H18N4O/c1-8-12-13-10(14(8)2)6-11-5-9-3-4-15-7-9/h9,11H,3-7H2,1-2H3
InChIKeyNZFITZVEXASJJY-UHFFFAOYSA-N
XLogP0.25
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(oxolan-3-yl)methanamine?
The IUPAC name of N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(oxolan-3-yl)methanamine (CID 61038589) is N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(oxolan-3-yl)methanamine.
What is the SMILES notation for N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(oxolan-3-yl)methanamine?
The canonical SMILES for N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(oxolan-3-yl)methanamine is Cc1nnc(CNCC2CCOC2)n1C.
What is the InChIKey of N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(oxolan-3-yl)methanamine?
The InChIKey is NZFITZVEXASJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-8-12-13-10(14(8)2)6-11-5-9-3-4-15-7-9/h9,11H,3-7H2,1-2H3.
What are the key properties of N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(oxolan-3-yl)methanamine?
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(oxolan-3-yl)methanamine has a molecular weight of 210.28 g/mol, XLogP of 0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(oxolan-3-yl)methanamine is sourced from PubChem (CID 61038589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).