3-methyl-1-(2H-triazol-4-ylmethyl)pyrrolidin-3-amine;dihydrochloride

C8H17Cl2N5 — CID 155978109

IUPAC3-methyl-1-(2H-triazol-4-ylmethyl)pyrrolidin-3-amine;dihydrochloride
SMILESCC1(N)CCN(Cc2cn[nH]n2)C1.Cl.Cl
InChIInChI=1S/C8H15N5.2ClH/c1-8(9)2-3-13(6-8)5-7-4-10-12-11-7;;/h4H,2-3,5-6,9H2,1H3,(H,10,11,12);2*1H
InChIKeyQHHYGECDKCVQOB-UHFFFAOYSA-N
MW254.16 g/mol
LogP0.57
Rot. Bonds2

About 3-methyl-1-(2H-triazol-4-ylmethyl)pyrrolidin-3-amine;dihydrochloride

3-methyl-1-(2H-triazol-4-ylmethyl)pyrrolidin-3-amine;dihydrochloride (PubChem CID 155978109) has the molecular formula C8H17Cl2N5 and a molecular weight of 254.16 g/mol. Its IUPAC name is 3-methyl-1-(2H-triazol-4-ylmethyl)pyrrolidin-3-amine;dihydrochloride.

Molecular Properties

Compound Name3-methyl-1-(2H-triazol-4-ylmethyl)pyrrolidin-3-amine;dihydrochloride
PubChem CID155978109
Molecular FormulaC8H17Cl2N5
Molecular Weight254.16 g/mol
Exact Mass253.09
IUPAC Name3-methyl-1-(2H-triazol-4-ylmethyl)pyrrolidin-3-amine;dihydrochloride
SMILESCC1(N)CCN(Cc2cn[nH]n2)C1.Cl.Cl
InChIInChI=1S/C8H15N5.2ClH/c1-8(9)2-3-13(6-8)5-7-4-10-12-11-7;;/h4H,2-3,5-6,9H2,1H3,(H,10,11,12);2*1H
InChIKeyQHHYGECDKCVQOB-UHFFFAOYSA-N
XLogP0.57
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.16
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2H-triazol-4-ylmethyl)pyrrolidin-3-amine;dihydrochloride?
The IUPAC name of 3-methyl-1-(2H-triazol-4-ylmethyl)pyrrolidin-3-amine;dihydrochloride (CID 155978109) is 3-methyl-1-(2H-triazol-4-ylmethyl)pyrrolidin-3-amine;dihydrochloride.
What is the SMILES notation for 3-methyl-1-(2H-triazol-4-ylmethyl)pyrrolidin-3-amine;dihydrochloride?
The canonical SMILES for 3-methyl-1-(2H-triazol-4-ylmethyl)pyrrolidin-3-amine;dihydrochloride is CC1(N)CCN(Cc2cn[nH]n2)C1.Cl.Cl.
What is the InChIKey of 3-methyl-1-(2H-triazol-4-ylmethyl)pyrrolidin-3-amine;dihydrochloride?
The InChIKey is QHHYGECDKCVQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5.2ClH/c1-8(9)2-3-13(6-8)5-7-4-10-12-11-7;;/h4H,2-3,5-6,9H2,1H3,(H,10,11,12);2*1H.
What are the key properties of 3-methyl-1-(2H-triazol-4-ylmethyl)pyrrolidin-3-amine;dihydrochloride?
3-methyl-1-(2H-triazol-4-ylmethyl)pyrrolidin-3-amine;dihydrochloride has a molecular weight of 254.16 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2H-triazol-4-ylmethyl)pyrrolidin-3-amine;dihydrochloride is sourced from PubChem (CID 155978109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).