3-N-methyl-3-N-[(2-methylcyclopenta-1,4-dien-1-yl)methyl]-1H-1,2,4-triazole-3,5-diamine

C10H15N5 — CID 158046406

IUPAC3-N-methyl-3-N-[(2-methylcyclopenta-1,4-dien-1-yl)methyl]-1H-1,2,4-triazole-3,5-diamine
SMILESCC1=C(CN(C)c2n[nH]c(N)n2)C=CC1
InChIInChI=1S/C10H15N5/c1-7-4-3-5-8(7)6-15(2)10-12-9(11)13-14-10/h3,5H,4,6H2,1-2H3,(H3,11,12,13,14)
InChIKeyMISHEROVYMBBBA-UHFFFAOYSA-N
MW205.27 g/mol
LogP1.10
Rot. Bonds3

About 3-N-methyl-3-N-[(2-methylcyclopenta-1,4-dien-1-yl)methyl]-1H-1,2,4-triazole-3,5-diamine

3-N-methyl-3-N-[(2-methylcyclopenta-1,4-dien-1-yl)methyl]-1H-1,2,4-triazole-3,5-diamine (PubChem CID 158046406) has the molecular formula C10H15N5 and a molecular weight of 205.27 g/mol. Its IUPAC name is 3-N-methyl-3-N-[(2-methylcyclopenta-1,4-dien-1-yl)methyl]-1H-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name3-N-methyl-3-N-[(2-methylcyclopenta-1,4-dien-1-yl)methyl]-1H-1,2,4-triazole-3,5-diamine
PubChem CID158046406
Molecular FormulaC10H15N5
Molecular Weight205.27 g/mol
Exact Mass205.13
IUPAC Name3-N-methyl-3-N-[(2-methylcyclopenta-1,4-dien-1-yl)methyl]-1H-1,2,4-triazole-3,5-diamine
SMILESCC1=C(CN(C)c2n[nH]c(N)n2)C=CC1
InChIInChI=1S/C10H15N5/c1-7-4-3-5-8(7)6-15(2)10-12-9(11)13-14-10/h3,5H,4,6H2,1-2H3,(H3,11,12,13,14)
InChIKeyMISHEROVYMBBBA-UHFFFAOYSA-N
XLogP1.10
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.27
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-3-N-[(2-methylcyclopenta-1,4-dien-1-yl)methyl]-1H-1,2,4-triazole-3,5-diamine?
The IUPAC name of 3-N-methyl-3-N-[(2-methylcyclopenta-1,4-dien-1-yl)methyl]-1H-1,2,4-triazole-3,5-diamine (CID 158046406) is 3-N-methyl-3-N-[(2-methylcyclopenta-1,4-dien-1-yl)methyl]-1H-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 3-N-methyl-3-N-[(2-methylcyclopenta-1,4-dien-1-yl)methyl]-1H-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 3-N-methyl-3-N-[(2-methylcyclopenta-1,4-dien-1-yl)methyl]-1H-1,2,4-triazole-3,5-diamine is CC1=C(CN(C)c2n[nH]c(N)n2)C=CC1.
What is the InChIKey of 3-N-methyl-3-N-[(2-methylcyclopenta-1,4-dien-1-yl)methyl]-1H-1,2,4-triazole-3,5-diamine?
The InChIKey is MISHEROVYMBBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5/c1-7-4-3-5-8(7)6-15(2)10-12-9(11)13-14-10/h3,5H,4,6H2,1-2H3,(H3,11,12,13,14).
What are the key properties of 3-N-methyl-3-N-[(2-methylcyclopenta-1,4-dien-1-yl)methyl]-1H-1,2,4-triazole-3,5-diamine?
3-N-methyl-3-N-[(2-methylcyclopenta-1,4-dien-1-yl)methyl]-1H-1,2,4-triazole-3,5-diamine has a molecular weight of 205.27 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-3-N-[(2-methylcyclopenta-1,4-dien-1-yl)methyl]-1H-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 158046406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).